6533b7ddfe1ef96bd1274b55

RESEARCH PRODUCT

Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

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Made available in DSpace on 2018-12-11T17:33:14Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-07-21 Federación Española de Enfermedades Raras Ministerio de Economía y Competitividad A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the performance of various density functional theory functionals is tested to reveal the full vibronic ESA features of DSB at short and long probe delay times. UNESP-Universidade Estadual Paulista POSMAT-Graduate Program in Material Science and Technology, Av. Eng. Luiz Edmundo Carrijo Coube 14-01 Institute for Advanced Studies IMDEA Nanoscience Campus Cantoblanco, C/ Faraday 9 DF-FC UNESP-Universidade Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube 14-01 Department for Physical Chemistry Faculty of Chemistry University of Valencia, Avenida Dr. Moliner 50 UNESP-Universidade Estadual Paulista POSMAT-Graduate Program in Material Science and Technology, Av. Eng. Luiz Edmundo Carrijo Coube 14-01 DF-FC UNESP-Universidade Estadual Paulista, Av. Eng. Luiz Edmundo Carrijo Coube 14-01 Federación Española de Enfermedades Raras: CTQ2014-58801