GOLDEN-RULE TREATMENT OF HYDROGEN ABSTRACTION BY PHOTOEXCITED ACRIDINE GUESTS IN FLUORENE SINGLE-CRYSTALS

被引：22

作者：

CHANTRANUPONG, L

WILDMAN, TA

机构：

[1] Department of Chemistry, McMaster University, Hamilton

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 02期

关键词：

D O I：

10.1063/1.460058

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：

The kinetics of the photoreduction of acridine guest molecules in fluorene single crystals has been investigated theoretically. The abstraction has been modeled using the golden-rule approach and proceeds by vibrationally assisted tunneling. Parameter values have been taken from experimental data from semiempirical force-field calculations. The calculated temperature and isotope effects are in good agreement with the experimental data for acridine and phenazine guests [B. Prass, J. P. Colpa, and D. Stehlik, J. Chem. Phys. 88, 191 (1988)]. While a fluorene lattice vibration is the likely promoting mode, NH wagging in the radical-pair product plays an essential role.

引用

页码：1030 / 1033

页数：4

共 25 条

[21] TUNNELING IN PHOTOCHEMICAL SOLID-STATE H-TRANSFER - TEMPERATURE-DEPENDENCE OF THE H-ABSTRACTION RATE IN PHENAZINE-DOPED FLUORENE SINGLE-CRYSTALS [J].