INVESTIGATION OF PROTON-TRANSFERRED ENOL TAUTOMERS IN THE LOWEST EXCITED TRIPLET-STATES OF METHYL SALICYLATE AND RELATED MOLECULES

被引:34
作者
HOSHIMOTO, E
YAMAUCHI, S
HIROTA, N [1 ]
NAGAOKA, S
机构
[1] KYOTO UNIV,FAC SCI,DEPT CHEM,KYOTO 606,JAPAN
[2] EHIME UNIV,FAC SCI,DEPT CHEM,MATSUYAMA,EHIME 790,JAPAN
关键词
D O I
10.1021/j100178a003
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
Properties of the lowest excited triplet states of methyl salicylate and o-hydroxyacetophenone have been investigated by means of time-resolved electron paramagnetic resonance and molecular orbital calculations. From detailed analyses of the experimental results, zero-field splittings, spin distributions, and sublevel decay rate constants in the lowest excited triplet states of the proton-transferred enol tautomers of methyl salicylate and o-hydroxyacetophenone have been obtained. The calculated results of the spin distribution and the zero-field splitting of the enol tautomer are in good agreement with the experimental values.
引用
收藏
页码:10229 / 10235
页数:7
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