Catalònica: Agregador de contenidos digitales de Cataluña

Català
Castellano
English

Está en:  › Datos de registro

[10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer

Identificadores del recurso

http://hdl.handle.net/10256/19752

Procedencia

(DUGiDocs. Recerca)

Ficha

Título:: [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer
Tema:: Transferència de càrrega; Charge transfer; Ful·lerens; Fullerenes
Descripción:: A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift; We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017-85341-P, and Juan de la Cierva contracts IJC2019-039846-I to A.J.S. and FJCI-2017-32757 to O.A.S.) and the Catalan DIUE (2017SGR39)
Fuente:: Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744; Articles publicats (D-Q)
Idioma:: English
Relación:: info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202005516; info:eu-repo/semantics/altIdentifier/issn/0947-6539; info:eu-repo/semantics/altIdentifier/eissn/1521-3765; info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/
Autor/Productor:: Stasyuk, Olga A.; Stasyuk, Anton J.; Solà i Puig, Miquel; Voityuk, Alexander A.
Editor:: Wiley
Otros colaboradores/productores:: Agencia Estatal de Investigación
Derechos:: Attribution-NonCommercial-NoDerivatives 4.0 International; http://creativecommons.org/licenses/by-nc-nd/4.0/; info:eu-repo/semantics/openAccess
Fecha:: 2021-06-16
Tipo de recurso:: info:eu-repo/semantics/article; info:eu-repo/semantics/publishedVersion; peer-reviewed
Formato:: application/pdf

oai_dc

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< oai_dc:dc schemaLocation =" http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd " >
1. < dc:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dc:title >
2. < dc:creator > Stasyuk, Olga A. </ dc:creator >
3. < dc:creator > Stasyuk, Anton J. </ dc:creator >
4. < dc:creator > Solà i Puig, Miquel </ dc:creator >
5. < dc:creator > Voityuk, Alexander A. </ dc:creator >
6. < dc:contributor > Agencia Estatal de Investigación </ dc:contributor >
7. < dc:subject > Transferència de càrrega </ dc:subject >
8. < dc:subject > Charge transfer </ dc:subject >
9. < dc:subject > Ful·lerens </ dc:subject >
10. < dc:subject > Fullerenes </ dc:subject >
11. < dc:description > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dc:description >
12. < dc:description > We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017-85341-P, and Juan de la Cierva contracts IJC2019-039846-I to A.J.S. and FJCI-2017-32757 to O.A.S.) and the Catalan DIUE (2017SGR39) </ dc:description >
13. < dc:date > 2021-06-16 </ dc:date >
14. < dc:type > info:eu-repo/semantics/article </ dc:type >
15. < dc:type > info:eu-repo/semantics/publishedVersion </ dc:type >
16. < dc:type > peer-reviewed </ dc:type >
17. < dc:identifier > http://hdl.handle.net/10256/19752 </ dc:identifier >
18. < dc:relation > info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202005516 </ dc:relation >
19. < dc:relation > info:eu-repo/semantics/altIdentifier/issn/0947-6539 </ dc:relation >
20. < dc:relation > info:eu-repo/semantics/altIdentifier/eissn/1521-3765 </ dc:relation >
21. < dc:language > eng </ dc:language >
22. < dc:relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dc:relation >
23. < dc:source > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dc:source >
24. < dc:source > Articles publicats (D-Q) </ dc:source >
25. < dc:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ dc:rights >
26. < dc:rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dc:rights >
27. < dc:rights > info:eu-repo/semantics/openAccess </ dc:rights >
28. < dc:format > application/pdf </ dc:format >
29. < dc:publisher > Wiley </ dc:publisher >
</ oai_dc:dc >

didl

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< d:DIDL schemaLocation =" urn:mpeg:mpeg21:2002:02-DIDL-NS http://standards.iso.org/ittf/PubliclyAvailableStandards/MPEG-21_schema_files/did/didl.xsd " >
1. < d:DIDLInfo >
  1. < dcterms:created schemaLocation =" http://purl.org/dc/terms/ http://dublincore.org/schemas/xmls/qdc/dcterms.xsd " > 2021-07-28T07:23:32Z </ dcterms:created >
  </ d:DIDLInfo >
2. < d:Item id =" hdl_10256_19752 " >
  1. < d:Descriptor >
    1. < d:Statement mimeType =" application/xml; charset=utf-8 " >
      1. < dii:Identifier schemaLocation =" urn:mpeg:mpeg21:2002:01-DII-NS http://standards.iso.org/ittf/PubliclyAvailableStandards/MPEG-21_schema_files/dii/dii.xsd " > urn:hdl:10256/19752 </ dii:Identifier >
      </ d:Statement >
    </ d:Descriptor >
  2. < d:Descriptor >
    1. < d:Statement mimeType =" application/xml; charset=utf-8 " >
      1. < oai_dc:dc schemaLocation =" http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd " >
        
        < dc:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dc:title >
        
        < dc:creator > Stasyuk, Olga A. </ dc:creator >
        
        < dc:creator > Stasyuk, Anton J. </ dc:creator >
        
        < dc:creator > Solà i Puig, Miquel </ dc:creator >
        
        < dc:creator > Voityuk, Alexander A. </ dc:creator >
        
        < dc:contributor > Agencia Estatal de Investigación </ dc:contributor >
        
        < dc:subject > Transferència de càrrega </ dc:subject >
        
        < dc:subject > Charge transfer </ dc:subject >
        
        < dc:subject > Ful·lerens </ dc:subject >
        
        < dc:subject > Fullerenes </ dc:subject >
        
        < dc:description > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dc:description >
        
        < dc:date > 2021-07-28T07:23:32Z </ dc:date >
        
        < dc:date > 2021-07-28T07:23:32Z </ dc:date >
        
        < dc:date > 2021-06-16 </ dc:date >
        
        < dc:type > info:eu-repo/semantics/article </ dc:type >
        
        < dc:identifier > 0947-6539 </ dc:identifier >
        
        < dc:identifier > http://hdl.handle.net/10256/19752 </ dc:identifier >
        
        < dc:identifier > https://doi.org/10.1002/chem.202005516 </ dc:identifier >
        
        < dc:identifier > 033636 </ dc:identifier >
        
        < dc:identifier > 1521-3765 </ dc:identifier >
        
        < dc:language > eng </ dc:language >
        
        < dc:relation > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ dc:relation >
        
        < dc:relation > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dc:relation >
        
        < dc:relation > Articles publicats (D-Q) </ dc:relation >
        
        < dc:relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dc:relation >
        
        < dc:relation > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ dc:relation >
        
        < dc:relation > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ dc:relation >
        
        < dc:rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dc:rights >
        
        < dc:rights > info:eu-repo/semantics/openAccess </ dc:rights >
        
        < dc:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ dc:rights >
        
        < dc:publisher > Wiley </ dc:publisher >
        
        </ oai_dc:dc >
      </ d:Statement >
    </ d:Descriptor >
  3. < d:Component id =" 10256_19752_1 " >
    1. < d:Resource mimeType =" application/pdf " ref =" https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf " />
    </ d:Component >
  </ d:Item >
</ d:DIDL >

dim

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< dim:dim schemaLocation =" http://www.dspace.org/xmlns/dspace/dim http://www.dspace.org/schema/dim.xsd " >
1. < dim:field element =" contributor " mdschema =" dc " qualifier =" author " > Stasyuk, Olga A. </ dim:field >
2. < dim:field element =" contributor " mdschema =" dc " qualifier =" author " > Stasyuk, Anton J. </ dim:field >
3. < dim:field element =" contributor " mdschema =" dc " qualifier =" author " > Solà i Puig, Miquel </ dim:field >
4. < dim:field element =" contributor " mdschema =" dc " qualifier =" author " > Voityuk, Alexander A. </ dim:field >
5. < dim:field element =" contributor " mdschema =" dc " qualifier =" funder " > Agencia Estatal de Investigación </ dim:field >
6. < dim:field element =" date " mdschema =" dc " qualifier =" accessioned " > 2021-07-28T07:23:32Z </ dim:field >
7. < dim:field element =" date " mdschema =" dc " qualifier =" available " > 2021-07-28T07:23:32Z </ dim:field >
8. < dim:field element =" date " mdschema =" dc " qualifier =" issued " > 2021-06-16 </ dim:field >
9. < dim:field element =" identifier " mdschema =" dc " qualifier =" issn " > 0947-6539 </ dim:field >
10. < dim:field element =" identifier " mdschema =" dc " qualifier =" uri " > http://hdl.handle.net/10256/19752 </ dim:field >
11. < dim:field element =" identifier " mdschema =" dc " qualifier =" doi " > https://doi.org/10.1002/chem.202005516 </ dim:field >
12. < dim:field element =" identifier " mdschema =" dc " qualifier =" idgrec " > 033636 </ dim:field >
13. < dim:field element =" identifier " mdschema =" dc " qualifier =" eissn " > 1521-3765 </ dim:field >
14. < dim:field element =" description " mdschema =" dc " qualifier =" abstract " > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dim:field >
15. < dim:field element =" description " mdschema =" dc " qualifier =" provenance " > Submitted by CLAUDIA PLANA (claudia.plana@udg.edu) on 2021-07-28T07:23:32Z No. of bitstreams: 2 license_rdf: 805 bytes, checksum: 4460e5956bc1d1639be9ae6146a50347 (MD5) CPP-BasedInclusion.pdf: 2197413 bytes, checksum: cb9800745eb2cffc5e0dfe66ef82bda3 (MD5) </ dim:field >
16. < dim:field element =" description " mdschema =" dc " qualifier =" provenance " > Made available in DSpace on 2021-07-28T07:23:32Z (GMT). No. of bitstreams: 2 license_rdf: 805 bytes, checksum: 4460e5956bc1d1639be9ae6146a50347 (MD5) CPP-BasedInclusion.pdf: 2197413 bytes, checksum: cb9800745eb2cffc5e0dfe66ef82bda3 (MD5) Previous issue date: 2021-06-16 </ dim:field >
17. < dim:field element =" description " mdschema =" dc " qualifier =" sponsorship " > We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017-85341-P, and Juan de la Cierva contracts IJC2019-039846-I to A.J.S. and FJCI-2017-32757 to O.A.S.) and the Catalan DIUE (2017SGR39) </ dim:field >
18. < dim:field element =" format " mdschema =" dc " qualifier =" mimetype " > application/pdf </ dim:field >
19. < dim:field element =" language " mdschema =" dc " qualifier =" iso " > eng </ dim:field >
20. < dim:field element =" publisher " mdschema =" dc " > Wiley </ dim:field >
21. < dim:field element =" relation " mdschema =" dc " qualifier =" isformatof " > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ dim:field >
22. < dim:field element =" relation " mdschema =" dc " qualifier =" ispartof " > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dim:field >
23. < dim:field element =" relation " mdschema =" dc " qualifier =" ispartofseries " > Articles publicats (D-Q) </ dim:field >
24. < dim:field element =" relation " mdschema =" dc " qualifier =" projectID " > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dim:field >
25. < dim:field element =" relation " mdschema =" dc " qualifier =" FundingProgramme " > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ dim:field >
26. < dim:field element =" relation " mdschema =" dc " qualifier =" ProjectAcronym " > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ dim:field >
27. < dim:field element =" rights " mdschema =" dc " > Attribution-NonCommercial-NoDerivatives 4.0 International </ dim:field >
28. < dim:field element =" rights " mdschema =" dc " qualifier =" uri " > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dim:field >
29. < dim:field element =" rights " mdschema =" dc " qualifier =" accessRights " > info:eu-repo/semantics/openAccess </ dim:field >
30. < dim:field element =" subject " mdschema =" dc " > Transferència de càrrega </ dim:field >
31. < dim:field element =" subject " mdschema =" dc " > Charge transfer </ dim:field >
32. < dim:field element =" subject " mdschema =" dc " > Ful·lerens </ dim:field >
33. < dim:field element =" subject " mdschema =" dc " > Fullerenes </ dim:field >
34. < dim:field element =" title " mdschema =" dc " > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dim:field >
35. < dim:field element =" type " mdschema =" dc " > info:eu-repo/semantics/article </ dim:field >
36. < dim:field element =" type " mdschema =" dc " qualifier =" version " > info:eu-repo/semantics/publishedVersion </ dim:field >
37. < dim:field element =" type " mdschema =" dc " qualifier =" peerreviewed " > peer-reviewed </ dim:field >
</ dim:dim >

edm

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< rdf:RDF schemaLocation =" http://www.w3.org/1999/02/22-rdf-syntax-ns# http://www.europeana.eu/schemas/edm/EDM.xsd " >
1. < edm:ProvidedCHO about =" https://catalonica.bnc.cat/catalonicahub/lod/oai:dugi-doc.udg.edu:10256_--_19752#ent0 " >
  1. < dc:contributor > Agencia Estatal de Investigación </ dc:contributor >
  2. < dc:creator > Stasyuk, Olga A. </ dc:creator >
  3. < dc:creator > Stasyuk, Anton J. </ dc:creator >
  4. < dc:creator > Solà i Puig, Miquel </ dc:creator >
  5. < dc:creator > Voityuk, Alexander A. </ dc:creator >
  6. < dc:date > 2021-06-16 </ dc:date >
  7. < dc:description > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dc:description >
  8. < dc:description > We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017-85341-P, and Juan de la Cierva contracts IJC2019-039846-I to A.J.S. and FJCI-2017-32757 to O.A.S.) and the Catalan DIUE (2017SGR39) </ dc:description >
  9. < dc:identifier > http://hdl.handle.net/10256/19752 </ dc:identifier >
  10. < dc:language > eng </ dc:language >
  11. < dc:publisher > Wiley </ dc:publisher >
  12. < dc:relation > info:eu-repo/semantics/altIdentifier/doi/10.1002/chem.202005516 </ dc:relation >
  13. < dc:relation > info:eu-repo/semantics/altIdentifier/issn/0947-6539 </ dc:relation >
  14. < dc:relation > info:eu-repo/semantics/altIdentifier/eissn/1521-3765 </ dc:relation >
  15. < dc:relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dc:relation >
  16. < dc:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ dc:rights >
  17. < dc:rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dc:rights >
  18. < dc:rights > info:eu-repo/semantics/openAccess </ dc:rights >
  19. < dc:source > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dc:source >
  20. < dc:source > Articles publicats (D-Q) </ dc:source >
  21. < dc:subject > Transferència de càrrega </ dc:subject >
  22. < dc:subject > Charge transfer </ dc:subject >
  23. < dc:subject > Ful·lerens </ dc:subject >
  24. < dc:subject > Fullerenes </ dc:subject >
  25. < dc:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dc:title >
  26. < dc:type > info:eu-repo/semantics/article </ dc:type >
  27. < dc:type > info:eu-repo/semantics/publishedVersion </ dc:type >
  28. < dc:type > peer-reviewed </ dc:type >
  29. < edm:type > TEXT </ edm:type >
  </ edm:ProvidedCHO >
2. < ore:Aggregation about =" https://catalonica.bnc.cat/catalonicahub/lod/oai:dugi-doc.udg.edu:10256_--_19752#ent1 " >
  1. < edm:aggregatedCHO resource =" https://catalonica.bnc.cat/catalonicahub/lod/oai:dugi-doc.udg.edu:10256_--_19752#ent0 " />
  2. < edm:dataProvider > DUGiDocs. Recerca </ edm:dataProvider >
  3. < edm:isShownAt resource =" http://hdl.handle.net/10256/19752 " />
  4. < edm:isShownBy resource =" https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf " />
  5. < edm:provider > Catalònica </ edm:provider >
  6. < edm:rights resource =" http://creativecommons.org/licenses/by-nc-nd/4.0/ " />
  </ ore:Aggregation >
</ rdf:RDF >

etdms

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< thesis schemaLocation =" http://www.ndltd.org/standards/metadata/etdms/1.0/ http://www.ndltd.org/standards/metadata/etdms/1.0/etdms.xsd " >
1. < title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ title >
2. < creator > Stasyuk, Olga A. </ creator >
3. < creator > Stasyuk, Anton J. </ creator >
4. < creator > Solà i Puig, Miquel </ creator >
5. < creator > Voityuk, Alexander A. </ creator >
6. < contributor > Agencia Estatal de Investigación </ contributor >
7. < subject > Transferència de càrrega </ subject >
8. < subject > Charge transfer </ subject >
9. < subject > Ful·lerens </ subject >
10. < subject > Fullerenes </ subject >
11. < description > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ description >
12. < date > 2021-07-28 </ date >
13. < date > 2021-07-28 </ date >
14. < date > 2021-06-16 </ date >
15. < type > info:eu-repo/semantics/article </ type >
16. < identifier > 0947-6539 </ identifier >
17. < identifier > http://hdl.handle.net/10256/19752 </ identifier >
18. < identifier > https://doi.org/10.1002/chem.202005516 </ identifier >
19. < identifier > 033636 </ identifier >
20. < identifier > 1521-3765 </ identifier >
21. < language > eng </ language >
22. < relation > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ relation >
23. < relation > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ relation >
24. < relation > Articles publicats (D-Q) </ relation >
25. < relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ relation >
26. < relation > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ relation >
27. < relation > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ relation >
28. < rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ rights >
29. < rights > info:eu-repo/semantics/openAccess </ rights >
30. < rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ rights >
31. < publisher > Wiley </ publisher >
</ thesis >

marc

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< record schemaLocation =" http://www.loc.gov/MARC21/slim http://www.loc.gov/standards/marcxml/schema/MARC21slim.xsd " >
1. < leader > 00925njm 22002777a 4500 </ leader >
2. < datafield ind1 =" " ind2 =" " tag =" 042 " >
  1. < subfield code =" a " > dc </ subfield >
  </ datafield >
3. < datafield ind1 =" " ind2 =" " tag =" 720 " >
  1. < subfield code =" a " > Stasyuk, Olga A. </ subfield >
  2. < subfield code =" e " > author </ subfield >
  </ datafield >
4. < datafield ind1 =" " ind2 =" " tag =" 720 " >
  1. < subfield code =" a " > Stasyuk, Anton J. </ subfield >
  2. < subfield code =" e " > author </ subfield >
  </ datafield >
5. < datafield ind1 =" " ind2 =" " tag =" 720 " >
  1. < subfield code =" a " > Solà i Puig, Miquel </ subfield >
  2. < subfield code =" e " > author </ subfield >
  </ datafield >
6. < datafield ind1 =" " ind2 =" " tag =" 720 " >
  1. < subfield code =" a " > Voityuk, Alexander A. </ subfield >
  2. < subfield code =" e " > author </ subfield >
  </ datafield >
7. < datafield ind1 =" " ind2 =" " tag =" 260 " >
  1. < subfield code =" c " > 2021-06-16 </ subfield >
  </ datafield >
8. < datafield ind1 =" " ind2 =" " tag =" 520 " >
  1. < subfield code =" a " > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ subfield >
  </ datafield >
9. < datafield ind1 =" 8 " ind2 =" " tag =" 024 " >
  1. < subfield code =" a " > 0947-6539 </ subfield >
  </ datafield >
10. < datafield ind1 =" 8 " ind2 =" " tag =" 024 " >
  1. < subfield code =" a " > http://hdl.handle.net/10256/19752 </ subfield >
  </ datafield >
11. < datafield ind1 =" 8 " ind2 =" " tag =" 024 " >
  1. < subfield code =" a " > https://doi.org/10.1002/chem.202005516 </ subfield >
  </ datafield >
12. < datafield ind1 =" 8 " ind2 =" " tag =" 024 " >
  1. < subfield code =" a " > 033636 </ subfield >
  </ datafield >
13. < datafield ind1 =" 8 " ind2 =" " tag =" 024 " >
  1. < subfield code =" a " > 1521-3765 </ subfield >
  </ datafield >
14. < datafield ind1 =" " ind2 =" " tag =" 653 " >
  1. < subfield code =" a " > Transferència de càrrega </ subfield >
  </ datafield >
15. < datafield ind1 =" " ind2 =" " tag =" 653 " >
  1. < subfield code =" a " > Charge transfer </ subfield >
  </ datafield >
16. < datafield ind1 =" " ind2 =" " tag =" 653 " >
  1. < subfield code =" a " > Ful·lerens </ subfield >
  </ datafield >
17. < datafield ind1 =" " ind2 =" " tag =" 653 " >
  1. < subfield code =" a " > Fullerenes </ subfield >
  </ datafield >
18. < datafield ind1 =" 0 " ind2 =" 0 " tag =" 245 " >
  1. < subfield code =" a " > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ subfield >
  </ datafield >
</ record >

mets

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< mets ID =" DSpace_ITEM_10256-19752 " OBJID =" hdl:10256/19752 " PROFILE =" DSpace METS SIP Profile 1.0 " TYPE =" DSpace ITEM " schemaLocation =" http://www.loc.gov/METS/ http://www.loc.gov/standards/mets/mets.xsd " >
1. < metsHdr CREATEDATE =" 2024-06-06T23:09:32Z " >
  1. < agent ROLE =" CUSTODIAN " TYPE =" ORGANIZATION " >
    1. < name > DUGiDocs </ name >
    </ agent >
  </ metsHdr >
2. < dmdSec ID =" DMD_10256_19752 " >
  1. < mdWrap MDTYPE =" MODS " >
    1. < xmlData schemaLocation =" http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-1.xsd " >
      1. < mods:mods schemaLocation =" http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-1.xsd " >
        
        < mods:name >
        
        < mods:role >
        
        < mods:roleTerm type =" text " > author </ mods:roleTerm >
        
        </ mods:role >
        
        < mods:namePart > Stasyuk, Olga A. </ mods:namePart >
        
        </ mods:name >
        
        < mods:name >
        
        < mods:role >
        
        < mods:roleTerm type =" text " > author </ mods:roleTerm >
        
        </ mods:role >
        
        < mods:namePart > Stasyuk, Anton J. </ mods:namePart >
        
        </ mods:name >
        
        < mods:name >
        
        < mods:role >
        
        < mods:roleTerm type =" text " > author </ mods:roleTerm >
        
        </ mods:role >
        
        < mods:namePart > Solà i Puig, Miquel </ mods:namePart >
        
        </ mods:name >
        
        < mods:name >
        
        < mods:role >
        
        < mods:roleTerm type =" text " > author </ mods:roleTerm >
        
        </ mods:role >
        
        < mods:namePart > Voityuk, Alexander A. </ mods:namePart >
        
        </ mods:name >
        
        < mods:name >
        
        < mods:role >
        
        < mods:roleTerm type =" text " > funder </ mods:roleTerm >
        
        </ mods:role >
        
        < mods:namePart > Agencia Estatal de Investigación </ mods:namePart >
        
        </ mods:name >
        
        < mods:extension >
        
        < mods:dateAccessioned encoding =" iso8601 " > 2021-07-28T07:23:32Z </ mods:dateAccessioned >
        
        </ mods:extension >
        
        < mods:extension >
        
        < mods:dateAvailable encoding =" iso8601 " > 2021-07-28T07:23:32Z </ mods:dateAvailable >
        
        </ mods:extension >
        
        < mods:originInfo >
        
        < mods:dateIssued encoding =" iso8601 " > 2021-06-16 </ mods:dateIssued >
        
        </ mods:originInfo >
        
        < mods:identifier type =" issn " > 0947-6539 </ mods:identifier >
        
        < mods:identifier type =" uri " > http://hdl.handle.net/10256/19752 </ mods:identifier >
        
        < mods:identifier type =" doi " > https://doi.org/10.1002/chem.202005516 </ mods:identifier >
        
        < mods:identifier type =" idgrec " > 033636 </ mods:identifier >
        
        < mods:identifier type =" eissn " > 1521-3765 </ mods:identifier >
        
        < mods:abstract > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ mods:abstract >
        
        < mods:language >
        
        < mods:languageTerm authority =" rfc3066 " > eng </ mods:languageTerm >
        
        </ mods:language >
        
        < mods:accessCondition type =" useAndReproduction " > Attribution-NonCommercial-NoDerivatives 4.0 International </ mods:accessCondition >
        
        < mods:subject >
        
        < mods:topic > Transferència de càrrega </ mods:topic >
        
        </ mods:subject >
        
        < mods:subject >
        
        < mods:topic > Charge transfer </ mods:topic >
        
        </ mods:subject >
        
        < mods:subject >
        
        < mods:topic > Ful·lerens </ mods:topic >
        
        </ mods:subject >
        
        < mods:subject >
        
        < mods:topic > Fullerenes </ mods:topic >
        
        </ mods:subject >
        
        < mods:titleInfo >
        
        < mods:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ mods:title >
        
        </ mods:titleInfo >
        
        < mods:genre > info:eu-repo/semantics/article </ mods:genre >
        
        </ mods:mods >
      </ xmlData >
    </ mdWrap >
  </ dmdSec >
3. < amdSec ID =" TMD_10256_19752 " >
  1. < rightsMD ID =" RIG_10256_19752 " >
    1. < mdWrap MDTYPE =" OTHER " MIMETYPE =" text/plain " OTHERMDTYPE =" DSpaceDepositLicense " >
      1. < binData > 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 </ binData >
      </ mdWrap >
    </ rightsMD >
  </ amdSec >
4. < amdSec ID =" FO_10256_19752_1 " >
  1. < techMD ID =" TECH_O_10256_19752_1 " >
    1. < mdWrap MDTYPE =" PREMIS " >
      1. < xmlData schemaLocation =" http://www.loc.gov/standards/premis http://www.loc.gov/standards/premis/PREMIS-v1-0.xsd " >
        
        < premis:premis >
        
        < premis:object >
        
        < premis:objectIdentifier >
        
        < premis:objectIdentifierType > URL </ premis:objectIdentifierType >
        
        < premis:objectIdentifierValue > https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf </ premis:objectIdentifierValue >
        
        </ premis:objectIdentifier >
        
        < premis:objectCategory > File </ premis:objectCategory >
        
        < premis:objectCharacteristics >
        
        < premis:fixity >
        
        < premis:messageDigestAlgorithm > MD5 </ premis:messageDigestAlgorithm >
        
        < premis:messageDigest > cb9800745eb2cffc5e0dfe66ef82bda3 </ premis:messageDigest >
        
        </ premis:fixity >
        
        < premis:size > 2197413 </ premis:size >
        
        < premis:format >
        
        < premis:formatDesignation >
        
        < premis:formatName > application/pdf </ premis:formatName >
        
        </ premis:formatDesignation >
        
        </ premis:format >
        
        </ premis:objectCharacteristics >
        
        < premis:originalName > CPP-BasedInclusion.pdf </ premis:originalName >
        
        </ premis:object >
        
        </ premis:premis >
        
        </ xmlData >
      </ mdWrap >
    </ techMD >
  </ amdSec >
5. < fileSec >
  1. < fileGrp USE =" ORIGINAL " >
    1. < file ADMID =" FO_10256_19752_1 " CHECKSUM =" cb9800745eb2cffc5e0dfe66ef82bda3 " CHECKSUMTYPE =" MD5 " GROUPID =" GROUP_BITSTREAM_10256_19752_1 " ID =" BITSTREAM_ORIGINAL_10256_19752_1 " MIMETYPE =" application/pdf " SEQ =" 1 " SIZE =" 2197413 " >
      1. < FLocat LOCTYPE =" URL " href =" https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf " type =" simple " />
      </ file >
    </ fileGrp >
  </ fileSec >
6. < structMap LABEL =" DSpace Object " TYPE =" LOGICAL " >
  1. < div ADMID =" DMD_10256_19752 " TYPE =" DSpace Object Contents " >
    1. < div TYPE =" DSpace BITSTREAM " >
      1. < fptr FILEID =" BITSTREAM_ORIGINAL_10256_19752_1 " />
      </ div >
    </ div >
  </ structMap >
</ mets >

mods

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< mods:mods schemaLocation =" http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-1.xsd " >
1. < mods:name >
  1. < mods:namePart > Stasyuk, Olga A. </ mods:namePart >
  </ mods:name >
2. < mods:name >
  1. < mods:namePart > Stasyuk, Anton J. </ mods:namePart >
  </ mods:name >
3. < mods:name >
  1. < mods:namePart > Solà i Puig, Miquel </ mods:namePart >
  </ mods:name >
4. < mods:name >
  1. < mods:namePart > Voityuk, Alexander A. </ mods:namePart >
  </ mods:name >
5. < mods:extension >
  1. < mods:dateAvailable encoding =" iso8601 " > 2021-07-28T07:23:32Z </ mods:dateAvailable >
  </ mods:extension >
6. < mods:extension >
  1. < mods:dateAccessioned encoding =" iso8601 " > 2021-07-28T07:23:32Z </ mods:dateAccessioned >
  </ mods:extension >
7. < mods:originInfo >
  1. < mods:dateIssued encoding =" iso8601 " > 2021-06-16 </ mods:dateIssued >
  </ mods:originInfo >
8. < mods:identifier type =" issn " > 0947-6539 </ mods:identifier >
9. < mods:identifier type =" uri " > http://hdl.handle.net/10256/19752 </ mods:identifier >
10. < mods:identifier type =" doi " > https://doi.org/10.1002/chem.202005516 </ mods:identifier >
11. < mods:identifier type =" idgrec " > 033636 </ mods:identifier >
12. < mods:identifier type =" eissn " > 1521-3765 </ mods:identifier >
13. < mods:abstract > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ mods:abstract >
14. < mods:language >
  1. < mods:languageTerm > eng </ mods:languageTerm >
  </ mods:language >
15. < mods:accessCondition type =" useAndReproduction " > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ mods:accessCondition >
16. < mods:accessCondition type =" useAndReproduction " > info:eu-repo/semantics/openAccess </ mods:accessCondition >
17. < mods:accessCondition type =" useAndReproduction " > Attribution-NonCommercial-NoDerivatives 4.0 International </ mods:accessCondition >
18. < mods:subject >
  1. < mods:topic > Transferència de càrrega </ mods:topic >
  </ mods:subject >
19. < mods:subject >
  1. < mods:topic > Charge transfer </ mods:topic >
  </ mods:subject >
20. < mods:subject >
  1. < mods:topic > Ful·lerens </ mods:topic >
  </ mods:subject >
21. < mods:subject >
  1. < mods:topic > Fullerenes </ mods:topic >
  </ mods:subject >
22. < mods:titleInfo >
  1. < mods:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ mods:title >
  </ mods:titleInfo >
23. < mods:genre > info:eu-repo/semantics/article </ mods:genre >
</ mods:mods >

oai_datacite

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< datacite:resource schemaLocation =" http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4-2/metadata.xsd " >
1. < datacite:identifier identifierType =" Handle " > http://hdl.handle.net/10256/19752 </ datacite:identifier >
2. < datacite:titles >
  1. < datacite:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ datacite:title >
  </ datacite:titles >
3. < datacite:creators >
  1. < datacite:creator >
    1. < datacite:creatorName > Stasyuk, Olga A. </ datacite:creatorName >
    </ datacite:creator >
  2. < datacite:creator >
    1. < datacite:creatorName > Stasyuk, Anton J. </ datacite:creatorName >
    </ datacite:creator >
  3. < datacite:creator >
    1. < datacite:creatorName > Solà i Puig, Miquel </ datacite:creatorName >
    2. < datacite:nameIdentifier nameIdentifierScheme =" ORCID " schemeURI =" http://orcid.org/ " > 0000-0002-1917-7450 </ datacite:nameIdentifier >
    </ datacite:creator >
  4. < datacite:creator >
    1. < datacite:creatorName > Voityuk, Alexander A. </ datacite:creatorName >
    2. < datacite:nameIdentifier nameIdentifierScheme =" ORCID " schemeURI =" http://orcid.org/ " > 0000-0001-6620-4362 </ datacite:nameIdentifier >
    </ datacite:creator >
  </ datacite:creators >
4. < datacite:contributors />
5. < datacite:subjects >
  1. < datacite:subject > Transferència de càrrega </ datacite:subject >
  2. < datacite:subject > Charge transfer </ datacite:subject >
  3. < datacite:subject > Ful·lerens </ datacite:subject >
  4. < datacite:subject > Fullerenes </ datacite:subject >
  </ datacite:subjects >
6. < datacite:descriptions >
  1. < datacite:description descriptionType =" Abstract " > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ datacite:description >
  </ datacite:descriptions >
7. < datacite:dates >
  1. < datacite:date dateType =" Issued " > 2021-06-16 </ datacite:date >
  </ datacite:dates >
8. < datacite:publicationYear > 2021 </ datacite:publicationYear >
9. < datacite:resourceType resourceTypeGeneral =" Dataset " />
10. < datacite:languages >
  1. < datacite:language > eng </ datacite:language >
  </ datacite:languages >
11. < datacite:relatedIdentifiers >
  1. < datacite:relatedIdentifier relatedIdentifierType =" URL " relationType =" IsSupplementTo " > 0947-6539 </ datacite:relatedIdentifier >
  2. < datacite:relatedIdentifier relatedIdentifierType =" DOI " relationType =" IsSupplementTo " > https://doi.org/10.1002/chem.202005516 </ datacite:relatedIdentifier >
  3. < datacite:relatedIdentifier relatedIdentifierType =" URL " relationType =" IsSupplementTo " > 033636 </ datacite:relatedIdentifier >
  4. < datacite:relatedIdentifier relatedIdentifierType =" URL " relationType =" IsSupplementTo " > 1521-3765 </ datacite:relatedIdentifier >
  </ datacite:relatedIdentifiers >
12. < datacite:rightsList >
  1. < datacite:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ datacite:rights >
  2. < datacite:rights rightsURI =" http://creativecommons.org/licenses/by-nc-nd/4.0/ " > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ datacite:rights >
  3. < datacite:rights rightsURI =" info:eu-repo/semantics/openAccess " > info:eu-repo/semantics/openAccess </ datacite:rights >
  </ datacite:rightsList >
13. < datacite:formats >
  1. < datacite:format > application/pdf </ datacite:format >
  </ datacite:formats >
14. < datacite:publisher > Wiley </ datacite:publisher >
</ datacite:resource >

ore

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< atom:entry schemaLocation =" http://www.w3.org/2005/Atom http://www.kbcafe.com/rss/atom.xsd.xml " >
1. < atom:id > http://hdl.handle.net/10256/19752/ore.xml </ atom:id >
2. < atom:link href =" http://hdl.handle.net/10256/19752 " rel =" alternate " />
3. < atom:link href =" http://hdl.handle.net/10256/19752/ore.xml " rel =" http://www.openarchives.org/ore/terms/describes " />
4. < atom:link href =" http://hdl.handle.net/10256/19752/ore.xml#atom " rel =" self " type =" application/atom+xml " />
5. < atom:published > 2021-07-28T07:23:32Z </ atom:published >
6. < atom:updated > 2021-07-28T07:23:32Z </ atom:updated >
7. < atom:source >
  1. < atom:generator > DUGiDocs </ atom:generator >
  </ atom:source >
8. < atom:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ atom:title >
9. < atom:author >
  1. < atom:name > Stasyuk, Olga A. </ atom:name >
  </ atom:author >
10. < atom:author >
  1. < atom:name > Stasyuk, Anton J. </ atom:name >
  </ atom:author >
11. < atom:author >
  1. < atom:name > Solà i Puig, Miquel </ atom:name >
  </ atom:author >
12. < atom:author >
  1. < atom:name > Voityuk, Alexander A. </ atom:name >
  </ atom:author >
13. < atom:category label =" Aggregation " scheme =" http://www.openarchives.org/ore/terms/ " term =" http://www.openarchives.org/ore/terms/Aggregation " />
14. < atom:category scheme =" http://www.openarchives.org/ore/atom/modified " term =" 2021-07-28T07:23:32Z " />
15. < atom:category label =" DSpace Item " scheme =" http://www.dspace.org/objectModel/ " term =" DSpaceItem " />
16. < atom:link href =" https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf " length =" 2197413 " rel =" http://www.openarchives.org/ore/terms/aggregates " title =" CPP-BasedInclusion.pdf " type =" application/pdf " />
17. < oreatom:triples >
  1. < rdf:Description about =" http://hdl.handle.net/10256/19752/ore.xml#atom " >
    1. < rdf:type resource =" http://www.dspace.org/objectModel/DSpaceItem " />
    2. < dcterms:modified > 2021-07-28T07:23:32Z </ dcterms:modified >
    </ rdf:Description >
  2. < rdf:Description about =" https://dugi-doc.udg.edu/bitstream/10256/19752/3/license.txt " >
    1. < rdf:type resource =" http://www.dspace.org/objectModel/DSpaceBitstream " />
    2. < dcterms:description > LICENSE </ dcterms:description >
    </ rdf:Description >
  3. < rdf:Description about =" https://dugi-doc.udg.edu/bitstream/10256/19752/2/license_rdf " >
    1. < rdf:type resource =" http://www.dspace.org/objectModel/DSpaceBitstream " />
    2. < dcterms:description > CC-LICENSE </ dcterms:description >
    </ rdf:Description >
  4. < rdf:Description about =" https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf " >
    1. < rdf:type resource =" http://www.dspace.org/objectModel/DSpaceBitstream " />
    2. < dcterms:description > ORIGINAL </ dcterms:description >
    </ rdf:Description >
  </ oreatom:triples >
</ atom:entry >

qdc

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< qdc:qualifieddc schemaLocation =" http://purl.org/dc/elements/1.1/ http://dublincore.org/schemas/xmls/qdc/2006/01/06/dc.xsd http://purl.org/dc/terms/ http://dublincore.org/schemas/xmls/qdc/2006/01/06/dcterms.xsd http://dspace.org/qualifieddc/ http://www.ukoln.ac.uk/metadata/dcmi/xmlschema/qualifieddc.xsd " >
1. < dc:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dc:title >
2. < dc:creator > Stasyuk, Olga A. </ dc:creator >
3. < dc:creator > Stasyuk, Anton J. </ dc:creator >
4. < dc:creator > Solà i Puig, Miquel </ dc:creator >
5. < dc:creator > Voityuk, Alexander A. </ dc:creator >
6. < dc:contributor > Agencia Estatal de Investigación </ dc:contributor >
7. < dc:subject > Transferència de càrrega </ dc:subject >
8. < dc:subject > Charge transfer </ dc:subject >
9. < dc:subject > Ful·lerens </ dc:subject >
10. < dc:subject > Fullerenes </ dc:subject >
11. < dcterms:abstract > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dcterms:abstract >
12. < dcterms:issued > 2021-06-16 </ dcterms:issued >
13. < dc:type > info:eu-repo/semantics/article </ dc:type >
14. < dc:identifier > 0947-6539 </ dc:identifier >
15. < dc:identifier > http://hdl.handle.net/10256/19752 </ dc:identifier >
16. < dc:identifier > https://doi.org/10.1002/chem.202005516 </ dc:identifier >
17. < dc:identifier > 033636 </ dc:identifier >
18. < dc:identifier > 1521-3765 </ dc:identifier >
19. < dc:language > eng </ dc:language >
20. < dc:relation > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ dc:relation >
21. < dc:relation > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dc:relation >
22. < dc:relation > Articles publicats (D-Q) </ dc:relation >
23. < dc:relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dc:relation >
24. < dc:relation > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ dc:relation >
25. < dc:relation > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ dc:relation >
26. < dc:rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dc:rights >
27. < dc:rights > info:eu-repo/semantics/openAccess </ dc:rights >
28. < dc:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ dc:rights >
29. < dc:publisher > Wiley </ dc:publisher >
</ qdc:qualifieddc >

rdf

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< rdf:RDF schemaLocation =" http://www.openarchives.org/OAI/2.0/rdf/ http://www.openarchives.org/OAI/2.0/rdf.xsd " >
1. < ow:Publication about =" oai:dugi-doc.udg.edu:10256/19752 " >
  1. < dc:title > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ dc:title >
  2. < dc:creator > Stasyuk, Olga A. </ dc:creator >
  3. < dc:creator > Stasyuk, Anton J. </ dc:creator >
  4. < dc:creator > Solà i Puig, Miquel </ dc:creator >
  5. < dc:creator > Voityuk, Alexander A. </ dc:creator >
  6. < dc:contributor > Agencia Estatal de Investigación </ dc:contributor >
  7. < dc:subject > Transferència de càrrega </ dc:subject >
  8. < dc:subject > Charge transfer </ dc:subject >
  9. < dc:subject > Ful·lerens </ dc:subject >
  10. < dc:subject > Fullerenes </ dc:subject >
  11. < dc:description > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ dc:description >
  12. < dc:date > 2021-07-28T07:23:32Z </ dc:date >
  13. < dc:date > 2021-07-28T07:23:32Z </ dc:date >
  14. < dc:date > 2021-06-16 </ dc:date >
  15. < dc:type > info:eu-repo/semantics/article </ dc:type >
  16. < dc:identifier > 0947-6539 </ dc:identifier >
  17. < dc:identifier > http://hdl.handle.net/10256/19752 </ dc:identifier >
  18. < dc:identifier > https://doi.org/10.1002/chem.202005516 </ dc:identifier >
  19. < dc:identifier > 033636 </ dc:identifier >
  20. < dc:identifier > 1521-3765 </ dc:identifier >
  21. < dc:language > eng </ dc:language >
  22. < dc:relation > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ dc:relation >
  23. < dc:relation > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ dc:relation >
  24. < dc:relation > Articles publicats (D-Q) </ dc:relation >
  25. < dc:relation > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ dc:relation >
  26. < dc:relation > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ dc:relation >
  27. < dc:relation > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ dc:relation >
  28. < dc:rights > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ dc:rights >
  29. < dc:rights > info:eu-repo/semantics/openAccess </ dc:rights >
  30. < dc:rights > Attribution-NonCommercial-NoDerivatives 4.0 International </ dc:rights >
  31. < dc:publisher > Wiley </ dc:publisher >
  </ ow:Publication >
</ rdf:RDF >

xoai

Descargar XML

<?xml version="1.0" encoding="UTF-8" ?>

< metadata schemaLocation =" http://www.lyncode.com/xoai http://www.lyncode.com/xsd/xoai.xsd " >
1. < element name =" dc " >
  1. < element name =" contributor " >
    1. < element name =" author " >
      1. < element name =" none " >
        
        < field name =" value " > Stasyuk, Olga A. </ field >
        
        < field name =" value " > Stasyuk, Anton J. </ field >
        
        < field name =" value " > Solà i Puig, Miquel </ field >
        
        < field name =" value " > Voityuk, Alexander A. </ field >
        
        </ element >
      </ element >
    2. < element name =" funder " >
      1. < element name =" none " >
        
        < field name =" value " > Agencia Estatal de Investigación </ field >
        
        </ element >
      </ element >
    </ element >
  2. < element name =" date " >
    1. < element name =" accessioned " >
      1. < element name =" none " >
        
        < field name =" value " > 2021-07-28T07:23:32Z </ field >
        
        </ element >
      </ element >
    2. < element name =" available " >
      1. < element name =" none " >
        
        < field name =" value " > 2021-07-28T07:23:32Z </ field >
        
        </ element >
      </ element >
    3. < element name =" issued " >
      1. < element name =" none " >
        
        < field name =" value " > 2021-06-16 </ field >
        
        </ element >
      </ element >
    </ element >
  3. < element name =" identifier " >
    1. < element name =" issn " >
      1. < element name =" none " >
        
        < field name =" value " > 0947-6539 </ field >
        
        </ element >
      </ element >
    2. < element name =" uri " >
      1. < element name =" none " >
        
        < field name =" value " > http://hdl.handle.net/10256/19752 </ field >
        
        </ element >
      </ element >
    3. < element name =" doi " >
      1. < element name =" none " >
        
        < field name =" value " > https://doi.org/10.1002/chem.202005516 </ field >
        
        </ element >
      </ element >
    4. < element name =" idgrec " >
      1. < element name =" none " >
        
        < field name =" value " > 033636 </ field >
        
        </ element >
      </ element >
    5. < element name =" eissn " >
      1. < element name =" none " >
        
        < field name =" value " > 1521-3765 </ field >
        
        </ element >
      </ element >
    </ element >
  4. < element name =" description " >
    1. < element name =" abstract " >
      1. < element name =" none " >
        
        < field name =" value " > A number of non-covalently bound donor-acceptor dyads, consisting of C60 as the electron acceptor and cycloparaphenylene (CPP) as the electron donor, have been reported. A hypsochromic shift of the charge transfer (CT) band in polar medium has been found in [10]CPP⊃Li+@C60. To explore this anomalous effect, we study inclusion complexes [10]CPP⊃Li+@C60-MP, [10]CPP⊃C60-MPH+, and [10]CPP⊃C60-PPyMe+ formed by fulleropyrrolidine derivatives and [10]CPP using the DFT/TDDFT approach. We show that the introduction of a positively charged fragment into fullerene stabilizes CT states that become the lowest-lying excited states. These charge-separated states can be generated by the decay of locally excited states on a nanosecond to picosecond time scale. The distance of the charged fragment to the center of the fullerenic cage and its accessibility to the solvent determine the strength of the hypsochromic shift </ field >
        
        </ element >
      </ element >
    2. < element name =" provenance " >
      1. < element name =" none " >
        
        < field name =" value " > Submitted by CLAUDIA PLANA (claudia.plana@udg.edu) on 2021-07-28T07:23:32Z No. of bitstreams: 2 license_rdf: 805 bytes, checksum: 4460e5956bc1d1639be9ae6146a50347 (MD5) CPP-BasedInclusion.pdf: 2197413 bytes, checksum: cb9800745eb2cffc5e0dfe66ef82bda3 (MD5) </ field >
        
        < field name =" value " > Made available in DSpace on 2021-07-28T07:23:32Z (GMT). No. of bitstreams: 2 license_rdf: 805 bytes, checksum: 4460e5956bc1d1639be9ae6146a50347 (MD5) CPP-BasedInclusion.pdf: 2197413 bytes, checksum: cb9800745eb2cffc5e0dfe66ef82bda3 (MD5) Previous issue date: 2021-06-16 </ field >
        
        </ element >
      </ element >
    3. < element name =" sponsorship " >
      1. < element name =" none " >
        
        < field name =" value " > We are grateful for financial support from the Spanish MINECO (Network RED2018-102815-T, project CTQ2017-85341-P, and Juan de la Cierva contracts IJC2019-039846-I to A.J.S. and FJCI-2017-32757 to O.A.S.) and the Catalan DIUE (2017SGR39) </ field >
        
        </ element >
      </ element >
    </ element >
  5. < element name =" format " >
    1. < element name =" mimetype " >
      1. < element name =" none " >
        
        < field name =" value " > application/pdf </ field >
        
        </ element >
      </ element >
    </ element >
  6. < element name =" language " >
    1. < element name =" iso " >
      1. < element name =" none " >
        
        < field name =" value " > eng </ field >
        
        </ element >
      </ element >
    </ element >
  7. < element name =" publisher " >
    1. < element name =" none " >
      1. < field name =" value " > Wiley </ field >
      </ element >
    </ element >
  8. < element name =" relation " >
    1. < element name =" isformatof " >
      1. < element name =" none " >
        
        < field name =" value " > Reproducció digital del document publicat a: https://doi.org/10.1002/chem.202005516 </ field >
        
        </ element >
      </ element >
    2. < element name =" ispartof " >
      1. < element name =" none " >
        
        < field name =" value " > Chemistry - A European Journal, 2021, vol. 27, núm. 34, p. 8737-8744 </ field >
        
        </ element >
      </ element >
    3. < element name =" ispartofseries " >
      1. < element name =" none " >
        
        < field name =" value " > Articles publicats (D-Q) </ field >
        
        </ element >
      </ element >
    4. < element name =" projectID " >
      1. < element name =" none " >
        
        < field name =" value " > info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2017-85341-P/ES/AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION/ </ field >
        
        </ element >
      </ element >
    5. < element name =" FundingProgramme " >
      1. < element name =" none " >
        
        < field name =" value " > Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016 </ field >
        
        </ element >
      </ element >
    6. < element name =" ProjectAcronym " >
      1. < element name =" none " >
        
        < field name =" value " > AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION </ field >
        
        </ element >
      </ element >
    </ element >
  9. < element name =" rights " >
    1. < element name =" none " >
      1. < field name =" value " > Attribution-NonCommercial-NoDerivatives 4.0 International </ field >
      </ element >
    2. < element name =" uri " >
      1. < element name =" none " >
        
        < field name =" value " > http://creativecommons.org/licenses/by-nc-nd/4.0/ </ field >
        
        </ element >
      </ element >
    3. < element name =" accessRights " >
      1. < element name =" none " >
        
        < field name =" value " > info:eu-repo/semantics/openAccess </ field >
        
        </ element >
      </ element >
    </ element >
  10. < element name =" subject " >
    1. < element name =" none " >
      1. < field name =" value " > Transferència de càrrega </ field >
      2. < field name =" value " > Charge transfer </ field >
      3. < field name =" value " > Ful·lerens </ field >
      4. < field name =" value " > Fullerenes </ field >
      </ element >
    </ element >
  11. < element name =" title " >
    1. < element name =" none " >
      1. < field name =" value " > [10]CPP-Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer </ field >
      </ element >
    </ element >
  12. < element name =" type " >
    1. < element name =" none " >
      1. < field name =" value " > info:eu-repo/semantics/article </ field >
      </ element >
    2. < element name =" version " >
      1. < element name =" none " >
        
        < field name =" value " > info:eu-repo/semantics/publishedVersion </ field >
        
        </ element >
      </ element >
    3. < element name =" peerreviewed " >
      1. < element name =" none " >
        
        < field name =" value " > peer-reviewed </ field >
        
        </ element >
      </ element >
    </ element >
  </ element >
2. < element name =" adm " >
  1. < element name =" sets " >
    1. < element name =" hidden " >
      1. < element name =" none " >
        
        < field name =" value " > rc1 </ field >
        
        </ element >
      </ element >
    </ element >
  </ element >
3. < element name =" bundles " >
  1. < element name =" bundle " >
    1. < field name =" name " > LICENSE </ field >
    2. < element name =" bitstreams " >
      1. < element name =" bitstream " >
        
        < field name =" name " > license.txt </ field >
        
        < field name =" originalName " > license.txt </ field >
        
        < field name =" format " > text/plain </ field >
        
        < field name =" size " > 1748 </ field >
        
        < field name =" url " > https://dugi-doc.udg.edu/bitstream/10256/19752/3/license.txt </ field >
        
        < field name =" checksum " > 8a4605be74aa9ea9d79846c1fba20a33 </ field >
        
        < field name =" checksumAlgorithm " > MD5 </ field >
        
        < field name =" sid " > 3 </ field >
        
        </ element >
      </ element >
    </ element >
  2. < element name =" bundle " >
    1. < field name =" name " > CC-LICENSE </ field >
    2. < element name =" bitstreams " >
      1. < element name =" bitstream " >
        
        < field name =" name " > license_rdf </ field >
        
        < field name =" originalName " > license_rdf </ field >
        
        < field name =" format " > application/rdf+xml; charset=utf-8 </ field >
        
        < field name =" size " > 805 </ field >
        
        < field name =" url " > https://dugi-doc.udg.edu/bitstream/10256/19752/2/license_rdf </ field >
        
        < field name =" checksum " > 4460e5956bc1d1639be9ae6146a50347 </ field >
        
        < field name =" checksumAlgorithm " > MD5 </ field >
        
        < field name =" sid " > 2 </ field >
        
        </ element >
      </ element >
    </ element >
  3. < element name =" bundle " >
    1. < field name =" name " > ORIGINAL </ field >
    2. < element name =" bitstreams " >
      1. < element name =" bitstream " >
        
        < field name =" name " > CPP-BasedInclusion.pdf </ field >
        
        < field name =" originalName " > CPP-BasedInclusion.pdf </ field >
        
        < field name =" description " />
        
        < field name =" format " > application/pdf </ field >
        
        < field name =" size " > 2197413 </ field >
        
        < field name =" url " > https://dugi-doc.udg.edu/bitstream/10256/19752/1/CPP-BasedInclusion.pdf </ field >
        
        < field name =" checksum " > cb9800745eb2cffc5e0dfe66ef82bda3 </ field >
        
        < field name =" checksumAlgorithm " > MD5 </ field >
        
        < field name =" sid " > 1 </ field >
        
        </ element >
      </ element >
    </ element >
  </ element >
4. < element name =" others " >
  1. < field name =" handle " > 10256/19752 </ field >
  2. < field name =" identifier " > oai:dugi-doc.udg.edu:10256/19752 </ field >
  3. < field name =" lastModifyDate " > 2024-05-20 09:29:20.32 </ field >
  </ element >
5. < element name =" repository " >
  1. < field name =" name " > DUGiDocs </ field >
  2. < field name =" mail " > oriol.olive@udg.edu </ field >
  </ element >
6. < element name =" license " >
  1. < field name =" bin " > Tk9URTogUExBQ0UgWU9VUiBPV04gTElDRU5TRSBIRVJFClRoaXMgc2FtcGxlIGxpY2Vuc2UgaXMgcHJvdmlkZWQgZm9yIGluZm9ybWF0aW9uYWwgcHVycG9zZXMgb25seS4KCk5PTi1FWENMVVNJVkUgRElTVFJJQlVUSU9OIExJQ0VOU0UKCkJ5IHNpZ25pbmcgYW5kIHN1Ym1pdHRpbmcgdGhpcyBsaWNlbnNlLCB5b3UgKHRoZSBhdXRob3Iocykgb3IgY29weXJpZ2h0Cm93bmVyKSBncmFudHMgdG8gRFNwYWNlIFVuaXZlcnNpdHkgKERTVSkgdGhlIG5vbi1leGNsdXNpdmUgcmlnaHQgdG8gcmVwcm9kdWNlLAp0cmFuc2xhdGUgKGFzIGRlZmluZWQgYmVsb3cpLCBhbmQvb3IgZGlzdHJpYnV0ZSB5b3VyIHN1Ym1pc3Npb24gKGluY2x1ZGluZwp0aGUgYWJzdHJhY3QpIHdvcmxkd2lkZSBpbiBwcmludCBhbmQgZWxlY3Ryb25pYyBmb3JtYXQgYW5kIGluIGFueSBtZWRpdW0sCmluY2x1ZGluZyBidXQgbm90IGxpbWl0ZWQgdG8gYXVkaW8gb3IgdmlkZW8uCgpZb3UgYWdyZWUgdGhhdCBEU1UgbWF5LCB3aXRob3V0IGNoYW5naW5nIHRoZSBjb250ZW50LCB0cmFuc2xhdGUgdGhlCnN1Ym1pc3Npb24gdG8gYW55IG1lZGl1bSBvciBmb3JtYXQgZm9yIHRoZSBwdXJwb3NlIG9mIHByZXNlcnZhdGlvbi4KCllvdSBhbHNvIGFncmVlIHRoYXQgRFNVIG1heSBrZWVwIG1vcmUgdGhhbiBvbmUgY29weSBvZiB0aGlzIHN1Ym1pc3Npb24gZm9yCnB1cnBvc2VzIG9mIHNlY3VyaXR5LCBiYWNrLXVwIGFuZCBwcmVzZXJ2YXRpb24uCgpZb3UgcmVwcmVzZW50IHRoYXQgdGhlIHN1Ym1pc3Npb24gaXMgeW91ciBvcmlnaW5hbCB3b3JrLCBhbmQgdGhhdCB5b3UgaGF2ZQp0aGUgcmlnaHQgdG8gZ3JhbnQgdGhlIHJpZ2h0cyBjb250YWluZWQgaW4gdGhpcyBsaWNlbnNlLiBZb3UgYWxzbyByZXByZXNlbnQKdGhhdCB5b3VyIHN1Ym1pc3Npb24gZG9lcyBub3QsIHRvIHRoZSBiZXN0IG9mIHlvdXIga25vd2xlZGdlLCBpbmZyaW5nZSB1cG9uCmFueW9uZSdzIGNvcHlyaWdodC4KCklmIHRoZSBzdWJtaXNzaW9uIGNvbnRhaW5zIG1hdGVyaWFsIGZvciB3aGljaCB5b3UgZG8gbm90IGhvbGQgY29weXJpZ2h0LAp5b3UgcmVwcmVzZW50IHRoYXQgeW91IGhhdmUgb2J0YWluZWQgdGhlIHVucmVzdHJpY3RlZCBwZXJtaXNzaW9uIG9mIHRoZQpjb3B5cmlnaHQgb3duZXIgdG8gZ3JhbnQgRFNVIHRoZSByaWdodHMgcmVxdWlyZWQgYnkgdGhpcyBsaWNlbnNlLCBhbmQgdGhhdApzdWNoIHRoaXJkLXBhcnR5IG93bmVkIG1hdGVyaWFsIGlzIGNsZWFybHkgaWRlbnRpZmllZCBhbmQgYWNrbm93bGVkZ2VkCndpdGhpbiB0aGUgdGV4dCBvciBjb250ZW50IG9mIHRoZSBzdWJtaXNzaW9uLgoKSUYgVEhFIFNVQk1JU1NJT04gSVMgQkFTRUQgVVBPTiBXT1JLIFRIQVQgSEFTIEJFRU4gU1BPTlNPUkVEIE9SIFNVUFBPUlRFRApCWSBBTiBBR0VOQ1kgT1IgT1JHQU5JWkFUSU9OIE9USEVSIFRIQU4gRFNVLCBZT1UgUkVQUkVTRU5UIFRIQVQgWU9VIEhBVkUKRlVMRklMTEVEIEFOWSBSSUdIVCBPRiBSRVZJRVcgT1IgT1RIRVIgT0JMSUdBVElPTlMgUkVRVUlSRUQgQlkgU1VDSApDT05UUkFDVCBPUiBBR1JFRU1FTlQuCgpEU1Ugd2lsbCBjbGVhcmx5IGlkZW50aWZ5IHlvdXIgbmFtZShzKSBhcyB0aGUgYXV0aG9yKHMpIG9yIG93bmVyKHMpIG9mIHRoZQpzdWJtaXNzaW9uLCBhbmQgd2lsbCBub3QgbWFrZSBhbnkgYWx0ZXJhdGlvbiwgb3RoZXIgdGhhbiBhcyBhbGxvd2VkIGJ5IHRoaXMKbGljZW5zZSwgdG8geW91ciBzdWJtaXNzaW9uLgo= </ field >
  </ element >
</ metadata >

Biblioteca de Catalunya Carrer de l'Hospital, 56. 08001 Barcelona Email: catalonica@bnc.cat Tlf.: +34 932 702 300

Repositorio OAI