Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds

Bibliographic Details
Main Author: De Aquino, Araceli
Publication Date: 2022
Other Authors: Ward, Jas S., Rissanen, Kari, Aullón, Gabriel, Lima, João Carlos, Rodríguez, Laura
Format: Article
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/10362/149798
Summary: Publisher Copyright: © 2022 American Chemical Society. All rights reserved.
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spelling Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) CompoundsImpact on the Population of the Triplet Excited StatePhysical and Theoretical ChemistryInorganic ChemistryPublisher Copyright: © 2022 American Chemical Society. All rights reserved.Two series of dinuclear gold(I) complexes that contain two Au-chromophore units (chromophore = dibenzofurane or dimethylfluorene) connected through a diphosphane bridge that differs in the flexibility and length (diphosphane = dppb for 1,4-bis(diphenylphosphino)butane, DPEphos for bis[(2-diphenylphosphino)phenyl]ether, xanthphos for 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene, and BiPheP for 2,2′-bis(diphenylphosphino)-1,1′-biphenyl) have been synthesized and structurally characterized. Their photophysical properties have been carefully investigated, paying attention to the role of the presence, or absence, of aurophilic contacts and their nature (intra- or intermolecular character). This analysis was permitted due to the X-ray crystallographic determination of all of the structures of the compounds discussed herein. The quantum yields of the triplet population, φT, have been calculated by nanosecond-laser flash photolysis measurements, and we could determine the main role of the character of the aurophilic contacts in the resulting φT, being especially favored in the presence of intermolecular contacts. Time-dependent density functional theory (TD-DFT) calculations support the absorption and emission assignments and the shorter distance between S1and the closest triplet excited state energy in the case of the compounds with a higher triplet-state population.LAQV@REQUIMTEDQ - Departamento de QuímicaRUNDe Aquino, AraceliWard, Jas S.Rissanen, KariAullón, GabrielLima, João CarlosRodríguez, Laura2023-02-27T22:23:37Z2022-12-262022-12-26T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article11application/pdfhttp://hdl.handle.net/10362/149798engDe Aquino, A., Ward, J. S., Rissanen, K., Aullón, G., Lima, J. C., & Rodríguez, L. (2022). Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds: Impact on the Population of the Triplet Excited State. Inorganic Chemistry, 61(51), 20931-20941. https://doi.org/10.1021/acs.inorgchem.2c033510020-1669PURE: 54153256https://doi.org/10.1021/acs.inorgchem.2c03351info:eu-repo/semantics/openAccessreponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiainstacron:RCAAP2024-05-22T18:09:33Zoai:run.unl.pt:10362/149798Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-28T17:39:56.949966Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiafalse
dc.title.none.fl_str_mv Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
Impact on the Population of the Triplet Excited State
title Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
spellingShingle Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
De Aquino, Araceli
Physical and Theoretical Chemistry
Inorganic Chemistry
title_short Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
title_full Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
title_fullStr Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
title_full_unstemmed Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
title_sort Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds
author De Aquino, Araceli
author_facet De Aquino, Araceli
Ward, Jas S.
Rissanen, Kari
Aullón, Gabriel
Lima, João Carlos
Rodríguez, Laura
author_role author
author2 Ward, Jas S.
Rissanen, Kari
Aullón, Gabriel
Lima, João Carlos
Rodríguez, Laura
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv LAQV@REQUIMTE
DQ - Departamento de Química
RUN
dc.contributor.author.fl_str_mv De Aquino, Araceli
Ward, Jas S.
Rissanen, Kari
Aullón, Gabriel
Lima, João Carlos
Rodríguez, Laura
dc.subject.por.fl_str_mv Physical and Theoretical Chemistry
Inorganic Chemistry
topic Physical and Theoretical Chemistry
Inorganic Chemistry
description Publisher Copyright: © 2022 American Chemical Society. All rights reserved.
publishDate 2022
dc.date.none.fl_str_mv 2022-12-26
2022-12-26T00:00:00Z
2023-02-27T22:23:37Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/149798
url http://hdl.handle.net/10362/149798
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv De Aquino, A., Ward, J. S., Rissanen, K., Aullón, G., Lima, J. C., & Rodríguez, L. (2022). Intra- vs Intermolecular Aurophilic Contacts in Dinuclear Gold(I) Compounds: Impact on the Population of the Triplet Excited State. Inorganic Chemistry, 61(51), 20931-20941. https://doi.org/10.1021/acs.inorgchem.2c03351
0020-1669
PURE: 54153256
https://doi.org/10.1021/acs.inorgchem.2c03351
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 11
application/pdf
dc.source.none.fl_str_mv reponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron:RCAAP
instname_str FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron_str RCAAP
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collection Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
repository.name.fl_str_mv Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
repository.mail.fl_str_mv info@rcaap.pt
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