AustralieFrV1, Ncbi, Curation, bibRecord, 001702

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.

Identifieur interne : 001702 ( Ncbi/Curation ); précédent : 001701; suivant : 001703

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.

Auteurs : Lucas A. Haverkate [Pays-Bas] ; Mohamed Zbiri [France] ; Mark R. Johnson [France] ; Elizabeth Carter [Australie] ; Arek Kotlewski [Pays-Bas] ; S. Picken [Pays-Bas] ; Fokko M. Mulder [Pays-Bas] ; Gordon J. Kearley [Australie]

Source :

The Journal of chemical physics [ 1089-7690 ] ; 2014.

RBID : pubmed:24410238

Abstract

Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) and 2,4,7-trinitro-9-fluorenone (TNF). It is shown that intermolecular charge transfer occurs in the ground state of the complex: a charge delocalization of about 10(-2) electron from the HAT6 core to TNF is deduced from both Raman and our previous NMR measurements [L. A. Haverkate, M. Zbiri, M. R. Johnson, B. Deme, H. J. M. de Groot, F. Lefeber, A. Kotlewski, S. J. Picken, F. M. Mulder, and G. J. Kearley, J. Phys. Chem. B 116, 13098 (2012)], implying the presence of permanent dipoles at the donor-acceptor interface. A combined analysis of density functional theory calculations, resonant Raman and UV-VIS absorption measurements indicate that fast relaxation occurs in the UV region due to intramolecular vibronic coupling of HAT6 quinoidal modes with lower lying electronic states. Relatively slower relaxation in the visible region the excited CT-band of the complex is also indicated, which likely involves motions of the TNF nitro groups. The fast quinoidal relaxation process in the hot UV band of HAT6 relates to pseudo-Jahn-Teller interactions in a single benzene unit, suggesting that the underlying vibronic coupling mechanism can be generic for polyaromatic hydrocarbons. Both the presence of ground state CT dipoles and relatively slow relaxation processes in the excited CT band can be relevant concerning the design of DLC based organic PV systems.

DOI: 10.1063/1.4856815
PubMed: 24410238

Links toward previous steps (curation, corpus...)

to stream PubMed, to step Corpus: Pour aller vers cette notice dans l'étape Curation :003A38
to stream PubMed, to step Curation: Pour aller vers cette notice dans l'étape Curation :003914
to stream PubMed, to step Checkpoint: Pour aller vers cette notice dans l'étape Curation :003914
to stream Ncbi, to step Merge: Pour aller vers cette notice dans l'étape Curation :001702

Links to Exploration step

pubmed:24410238

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.</title>
<author><name sortKey="Haverkate, Lucas A" sort="Haverkate, Lucas A" uniqKey="Haverkate L" first="Lucas A" last="Haverkate">Lucas A. Haverkate</name>
<affiliation wicri:level="1"><nlm:affiliation>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft</wicri:regionArea>
<wicri:noRegion>2629JB Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Zbiri, Mohamed" sort="Zbiri, Mohamed" uniqKey="Zbiri M" first="Mohamed" last="Zbiri">Mohamed Zbiri</name>
<affiliation wicri:level="1"><nlm:affiliation>Institut Laue Langevin, 38042 Grenoble Cedex 9, France.</nlm:affiliation>
<country xml:lang="fr">France</country>
<wicri:regionArea>Institut Laue Langevin, 38042 Grenoble Cedex 9</wicri:regionArea>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Johnson, Mark R" sort="Johnson, Mark R" uniqKey="Johnson M" first="Mark R" last="Johnson">Mark R. Johnson</name>
<affiliation wicri:level="1"><nlm:affiliation>Institut Laue Langevin, 38042 Grenoble Cedex 9, France.</nlm:affiliation>
<country xml:lang="fr">France</country>
<wicri:regionArea>Institut Laue Langevin, 38042 Grenoble Cedex 9</wicri:regionArea>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Carter, Elizabeth" sort="Carter, Elizabeth" uniqKey="Carter E" first="Elizabeth" last="Carter">Elizabeth Carter</name>
<affiliation wicri:level="4"><nlm:affiliation>Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008, Australia.</nlm:affiliation>
<country xml:lang="fr">Australie</country>
<wicri:regionArea>Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008</wicri:regionArea>
<orgName type="university">Université de Sydney</orgName>
<placeName><settlement type="city">Sydney</settlement>
<region type="état">Nouvelle-Galles du Sud</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Kotlewski, Arek" sort="Kotlewski, Arek" uniqKey="Kotlewski A" first="Arek" last="Kotlewski">Arek Kotlewski</name>
<affiliation wicri:level="1"><nlm:affiliation>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft</wicri:regionArea>
<wicri:noRegion>2628BL∕136 Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Picken, S" sort="Picken, S" uniqKey="Picken S" first="S" last="Picken">S. Picken</name>
<affiliation wicri:level="1"><nlm:affiliation>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft</wicri:regionArea>
<wicri:noRegion>2628BL∕136 Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Mulder, Fokko M" sort="Mulder, Fokko M" uniqKey="Mulder F" first="Fokko M" last="Mulder">Fokko M. Mulder</name>
<affiliation wicri:level="1"><nlm:affiliation>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft</wicri:regionArea>
<wicri:noRegion>2629JB Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Kearley, Gordon J" sort="Kearley, Gordon J" uniqKey="Kearley G" first="Gordon J" last="Kearley">Gordon J. Kearley</name>
<affiliation wicri:level="1"><nlm:affiliation>Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234, Australia.</nlm:affiliation>
<country xml:lang="fr">Australie</country>
<wicri:regionArea>Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234</wicri:regionArea>
<wicri:noRegion>NSW 2234</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2014">2014</date>
<idno type="RBID">pubmed:24410238</idno>
<idno type="pmid">24410238</idno>
<idno type="doi">10.1063/1.4856815</idno>
<idno type="wicri:Area/PubMed/Corpus">003A38</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">003A38</idno>
<idno type="wicri:Area/PubMed/Curation">003914</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">003914</idno>
<idno type="wicri:Area/PubMed/Checkpoint">003914</idno>
<idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">003914</idno>
<idno type="wicri:Area/Ncbi/Merge">001702</idno>
<idno type="wicri:Area/Ncbi/Curation">001702</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.</title>
<author><name sortKey="Haverkate, Lucas A" sort="Haverkate, Lucas A" uniqKey="Haverkate L" first="Lucas A" last="Haverkate">Lucas A. Haverkate</name>
<affiliation wicri:level="1"><nlm:affiliation>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft</wicri:regionArea>
<wicri:noRegion>2629JB Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Zbiri, Mohamed" sort="Zbiri, Mohamed" uniqKey="Zbiri M" first="Mohamed" last="Zbiri">Mohamed Zbiri</name>
<affiliation wicri:level="1"><nlm:affiliation>Institut Laue Langevin, 38042 Grenoble Cedex 9, France.</nlm:affiliation>
<country xml:lang="fr">France</country>
<wicri:regionArea>Institut Laue Langevin, 38042 Grenoble Cedex 9</wicri:regionArea>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Johnson, Mark R" sort="Johnson, Mark R" uniqKey="Johnson M" first="Mark R" last="Johnson">Mark R. Johnson</name>
<affiliation wicri:level="1"><nlm:affiliation>Institut Laue Langevin, 38042 Grenoble Cedex 9, France.</nlm:affiliation>
<country xml:lang="fr">France</country>
<wicri:regionArea>Institut Laue Langevin, 38042 Grenoble Cedex 9</wicri:regionArea>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
<wicri:noRegion>38042 Grenoble Cedex 9</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Carter, Elizabeth" sort="Carter, Elizabeth" uniqKey="Carter E" first="Elizabeth" last="Carter">Elizabeth Carter</name>
<affiliation wicri:level="4"><nlm:affiliation>Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008, Australia.</nlm:affiliation>
<country xml:lang="fr">Australie</country>
<wicri:regionArea>Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008</wicri:regionArea>
<orgName type="university">Université de Sydney</orgName>
<placeName><settlement type="city">Sydney</settlement>
<region type="état">Nouvelle-Galles du Sud</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Kotlewski, Arek" sort="Kotlewski, Arek" uniqKey="Kotlewski A" first="Arek" last="Kotlewski">Arek Kotlewski</name>
<affiliation wicri:level="1"><nlm:affiliation>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft</wicri:regionArea>
<wicri:noRegion>2628BL∕136 Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Picken, S" sort="Picken, S" uniqKey="Picken S" first="S" last="Picken">S. Picken</name>
<affiliation wicri:level="1"><nlm:affiliation>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL∕136 Delft</wicri:regionArea>
<wicri:noRegion>2628BL∕136 Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Mulder, Fokko M" sort="Mulder, Fokko M" uniqKey="Mulder F" first="Fokko M" last="Mulder">Fokko M. Mulder</name>
<affiliation wicri:level="1"><nlm:affiliation>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft, The Netherlands.</nlm:affiliation>
<country xml:lang="fr">Pays-Bas</country>
<wicri:regionArea>Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft</wicri:regionArea>
<wicri:noRegion>2629JB Delft</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Kearley, Gordon J" sort="Kearley, Gordon J" uniqKey="Kearley G" first="Gordon J" last="Kearley">Gordon J. Kearley</name>
<affiliation wicri:level="1"><nlm:affiliation>Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234, Australia.</nlm:affiliation>
<country xml:lang="fr">Australie</country>
<wicri:regionArea>Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234</wicri:regionArea>
<wicri:noRegion>NSW 2234</wicri:noRegion>
</affiliation>
</author>
</analytic>
<series><title level="j">The Journal of chemical physics</title>
<idno type="eISSN">1089-7690</idno>
<imprint><date when="2014" type="published">2014</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) and 2,4,7-trinitro-9-fluorenone (TNF). It is shown that intermolecular charge transfer occurs in the ground state of the complex: a charge delocalization of about 10(-2) electron from the HAT6 core to TNF is deduced from both Raman and our previous NMR measurements [L. A. Haverkate, M. Zbiri, M. R. Johnson, B. Deme, H. J. M. de Groot, F. Lefeber, A. Kotlewski, S. J. Picken, F. M. Mulder, and G. J. Kearley, J. Phys. Chem. B 116, 13098 (2012)], implying the presence of permanent dipoles at the donor-acceptor interface. A combined analysis of density functional theory calculations, resonant Raman and UV-VIS absorption measurements indicate that fast relaxation occurs in the UV region due to intramolecular vibronic coupling of HAT6 quinoidal modes with lower lying electronic states. Relatively slower relaxation in the visible region the excited CT-band of the complex is also indicated, which likely involves motions of the TNF nitro groups. The fast quinoidal relaxation process in the hot UV band of HAT6 relates to pseudo-Jahn-Teller interactions in a single benzene unit, suggesting that the underlying vibronic coupling mechanism can be generic for polyaromatic hydrocarbons. Both the presence of ground state CT dipoles and relatively slow relaxation processes in the excited CT band can be relevant concerning the design of DLC based organic PV systems.</div>
</front>
</TEI>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Wicri/Asie/explor/AustralieFrV1/Data/Ncbi/Curation

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 001702 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Ncbi/Curation/biblio.hfd -nk 001702 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Wicri/Asie
   |area=    AustralieFrV1
   |flux=    Ncbi
   |étape=   Curation
   |type=    RBID
   |clé=     pubmed:24410238
   |texte=   Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Ncbi/Curation/RBID.i   -Sk "pubmed:24410238" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Ncbi/Curation/biblio.hfd   \
       | NlmPubMed2Wicri -a AustralieFrV1

This area was generated with Dilib version V0.6.33.
Data generation: Tue Dec 5 10:43:12 2017. Site generation: Tue Mar 5 14:07:20 2024

	Serveur d'exploration sur les relations entre la France et l'Australie
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration sur les relations entre la France et l'Australie

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex.

Source :

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki