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

被引：20

作者：

Asano, Y

Murakami, A

Kobayashi, T

Kobatake, S

Irie, M

Yabushita, S

Nakamura, S

机构：

[1] Mitsubishi Chem Corp, MCC Grp Sci & Technol Res Ctr, Aoba Ku, Yokohama, Kanagawa 2278502, Japan

[2] ACT JST, Yokohama, Kanagawa 2278502, Japan

[3] Keio Univ, Fac Sci & Technol, Dept Chem, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan

[4] Kyushu Univ, Grad Sch Engn, Dept Chem & Biochem, Fukuoka 8128581, Japan

[5] CREST, Higashi Ku, Fukuoka 8128581, Japan

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2003年 / 625卷

关键词：

dithienylethene; quantum yield; photochromic reaction; cyclization reaction; environmental effect;

D O I：

10.1016/S0166-1280(03)00025-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：227 / 234

页数：8

共 17 条

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