Low-lying excited states of linear all-trans polyenes: the σ–π electron correlation and the description of ionic states
journal contribution
posted on 2025-05-28, 10:37 authored by Julio C.V. Chagas, Luan G. F. dos Santos, Reed Nieman, Adelia
J. A. Aquino, Silmar
A. do Monte, Felix PlasserFelix Plasser, Peter G. Szalay, Hans Lischka, Francisco B.C. MachadoIn this work, the electronic spectra of all-trans polyenes, from hexatriene to dodecahexaene are investigated.
Funding
Brazilian agencies Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) [grant no. 307168/2022-0]
Brazilian agencies Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) [grant no. 164766/2021-9]
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) [grant No. 2022/16385-8]
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) [grant no. 88887.877979/2023-00]
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) [grant no.88881.799245/2022-01]
CNPq [grant no. 313398/2023-2]
National Institute of Science and Technology on Molecular Sciences (INCT-CiMol) [CNPq grant no. 406804/2022-2]
Brazilian agency FINEP
National Research, Development and Innovation Fund (NKFIH) of Hungary [grant No. 142634]
History
School
- Science
Department
- Chemistry
Published in
Physical Chemistry Chemical PhysicsVolume
27Issue
15Pages
7916 - 7928Publisher
Royal Society of Chemistry (RSC)Version
- AM (Accepted Manuscript)
Rights holder
This journal is © the Owner SocietiesPublisher statement
This is the accepted manuscript version of the paper. The final publisher version is available here: https://doi.org/10.1039/d5cp00339cAcceptance date
2025-03-24Publication date
2025-04-01Copyright date
2025ISSN
1463-9076eISSN
1463-9084Publisher version
Language
- en
