Theoretical study on novel quantum yields of dithienylethenes cyclization reactions in crystals

Novel quantum yields (QYs) of photochromic cyclization reactions are studied for 1,2-bis (2-methyl-5-phenyl-3-thienyl) perfluorocyclopentene ( 1) and 1,2-bis (2-methyl-1-benzothiophen-3-yl) perfluorocyclopentene ( 2). The difference of the QYs in crystals and hexane solution for the molecules 1 and...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 2003-05, Vol.625 (1), p.227-234
Main Authors: Asano, Yukako, Murakami, Akinori, Kobayashi, Takao, Kobatake, Seiya, Irie, Masahiro, Yabushita, Satoshi, Nakamura, Shinichiro
Format: Article
Language:English
Subjects:
Cyclization reaction
Dithienylethene
Environmental effect
Photochromic reaction
Quantum yield
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Summary:Novel quantum yields (QYs) of photochromic cyclization reactions are studied for 1,2-bis (2-methyl-5-phenyl-3-thienyl) perfluorocyclopentene ( 1) and 1,2-bis (2-methyl-1-benzothiophen-3-yl) perfluorocyclopentene ( 2). The difference of the QYs in crystals and hexane solution for the molecules 1 and 2 is explained by their initial geometries, the relaxation from the Franck–Condon states, the shapes of the potential energy surfaces of the ground state, and the geometry change by the large amplitude motions.
ISSN:0166-1280
1872-7999
DOI:10.1016/S0166-1280(03)00025-3