S sub(1) and S sub(2) States of Linear and Zigzag Cata-Condensed Hydrocarbons

S sub(1) and S sub(2) States of Linear and Zigzag Cata-Condensed Hydrocarbons

We investigated the S sub(1) and S sub(2) states of linear and zigzag cata-condensed hydrocarbons on the basis of the results of jet spectroscopy and theoretical calculations. The S sub(1) states of anthracene and tetracene are represented by the HOMO arrow right LUMO configuration ( Phi (A)), where...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (50), p.13524-13530-13524-13530
Hauptverfasser: Baba, Masaaki, Katori, Toshiharu, Kawabata, Megumi, Kunishige, Sachi, Yamanaka, Takaya
Format: Artikel
Sprache:eng
Schlagworte:
Anthracene
Conversion
Hydrocarbons
Mathematical analysis
Molecular orbitals
Physical chemistry
Selectivity
Spectroscopy
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Zusammenfassung:We investigated the S sub(1) and S sub(2) states of linear and zigzag cata-condensed hydrocarbons on the basis of the results of jet spectroscopy and theoretical calculations. The S sub(1) states of anthracene and tetracene are represented by the HOMO arrow right LUMO configuration ( Phi (A)), whereas those of phenanthrene and chrysene are represented by HOMO-1 arrow right LUMO and HOMO arrow right LUMO+1 configurations ( Phi (B)). We found that the fluorescence lifetime varied with different vibronic levels in the S sub(1) states of linear cata-condensed hydrocarbons due to the mode-selective internal conversion to the S sub(0) state. This selectivity is likely to be seen in the S sub(1) Phi (A) state of the D sub(2h) molecule.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp407327h