INTRAMOLECULAR ELECTRON-TRANSFER REACTION IN DIMETHYLAMINOBENZONITRILE
被引:4
作者:
论文数: 引用数:
h-index:
机构:
BARBON, A
NORDIO, PL
论文数: 0引用数: 0
h-index: 0
机构:Physical Chemistry, University of Padua, via Loredan 2
NORDIO, PL
论文数: 引用数:
h-index:
机构:
POLIMENO, A
机构:
[1] Physical Chemistry, University of Padua, via Loredan 2
来源:
MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS
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1993年
/
234卷
关键词:
D O I:
10.1080/10587259308042899
中图分类号:
O7 [晶体学];
学科分类号:
0702 ;
070205 ;
0703 ;
080501 ;
摘要:
The fluorescence emission of dimethylaminobenzonitrile in polar solvents is analysed in terms of a model which is a microscopic generalization of the Grabowski two-level kinetic scheme. The ground and the lowest excited state are described by adiabatic potential surfaces, defined in terms of an internal torsional coordinate and a solvent polarization coordinate. The potential energy functions are given by the energy of the isolated molecule plus a contribution due to the electrostatic stabilization in the polar solvent. The interconversion process between the two minima of the potential surface corresponding to the excited singlet state, i.e. a planar state with a low dipole moment and a strongly polar charge transfer state, is described by a stochastic operator. The emission features are interpreted by a minimal set of parameters, both for radiative and non-radiative channels.