ULTRAVIOLET RESONANCE RAMAN EXCITATION PROFILES OF PYRIMIDINE NUCLEOTIDES

被引：109

作者：

BLAZEJ, DC ^{[1
]}

PETICOLAS, WL ^{[1
]}

机构：

[1] UNIV OREGON,DEPT CHEM,EUGENE,OR 97403

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 05期

关键词：

D O I：

10.1063/1.439547

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：

A semiempirical theoretical method for calculating the resonant Raman excitation profiles (RREP) from the measured absorption profile is developed and applied to measurements on pyrimidine mononucleotides. The method is general and provides a way of checking the consistency of a measured RREP with a measured absorption profile. From this treatment one obtains Δej, the shift in the equilibrium position of the normal coordinate Qj when the molecule is excited to the eth (resonant) electronic state. This quantity is useful in the estimation of the excited state geometry. Some error in our calculated values of Δej may result because changes in the excited state normal-mode frequencies have not been included in our evaluation of the Franck-Condon factors. © 1980 American Institute of Physics.

引用

页码：3134 / 3142

页数：9