S0↔S1 transition of trans‐β‐methyl styrene: Vibronic structure and dynamics

Autor:	H. Zuckermann, Shmuel Zilberg, E. Zingher, Shai Kendler, Yehuda Haas
Rok vydání:	1995
Předmět:	Intersystem crossing Ab initio quantum chemistry methods Chemistry Excited state Intramolecular force Ab initio General Physics and Astronomy Quantum yield Emission spectrum Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Fluorescence spectroscopy
Zdroj:	The Journal of Chemical Physics. 103:37-47
ISSN:	1089-7690 0021-9606
Popis:	The fluorescence excitation and emission spectra of trans‐β‐methyl styrene have been measured in a supersonic jet. A complete vibrational assignment of the S0 and S1 states’ frequencies is reported, assisted by ab initio quantum chemical calculations and by comparison with the IR spectrum. The fluorescence lifetime, τf, of the isolated molecule changes monotonously from 24.5 to 15 ns as the excitation energy increases from the origin band to an excess of 3000 cm−1. The fluorescence quantum yield from the zero‐point energy level of S1 is about 38%, similar to the liquid solution value; The major radiationless process being intersystem crossing to a triplet level. The increasing congestion of the emission spectra as the excitation energy is increased is interpreted as due to intramolecular vibrational energy redistribution. The data are consistent with the fact that in the isolated molecule intramolecular vibrational energy redistribution is faster than intersystem crossing. Beyond an excess energy of about...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::351c30df4d2ce0c56b670c94831e05c7 https://doi.org/10.1063/1.469606 Zobrazit plný text záznamu