三重态分子/稳定自由基体系超精细相关CIDEP的理论计算

波谱学杂志 ›› 2000, Vol. 17 ›› Issue (2): 121-130.

三重态分子/稳定自由基体系超精细相关CIDEP的理论计算

张先燚, 陆同兴, 许新胜, 孙文斌

安徽师范大学物理系, 光谱与材料研究室, 芜湖 241000

收稿日期:1999-11-25 修回日期:1999-12-27 出版日期:2000-04-05 发布日期:2018-01-11
作者简介:张先燚,男,1971年出生,硕士,讲师
基金资助:
安徽省教委自然科学基金,安徽师范大学青年科学基金,安徽师范大学校专项基金资助项目

THEORETICAL CALCULATION OF HYPERFINE DEPENDENT CIDEP IN TRIPLET MOLECULE/FREE RADICAL

ZHANG Xianyi, LU Tongxing, XU Xinsheng, SUN Wenbing

Laboratory of Spectroscopy and Materials, Anhui Normal University, Wuhu 241000

Received:1999-11-25 Revised:1999-12-27 Online:2000-04-05 Published:2018-01-11

摘要/Abstract

摘要： 光激发三重态分子/氮氧自由基的乙二醇溶液得到E+E/A极化的CIDEP谱,以光激发三重态与二重态自由基相互作用模型,考虑自由基的超精细相互作用,利用二阶微扰理论及相互作用表象下的密度矩阵,理论上计算了此类体系的CIDEP.

关键词: 电子自旋极化, RTPM, 密度矩阵

Abstract: In the excited triplet molecule/TEMPO/EG system, we obtained E+E/A polarized pattern. Based on the interaction model of excited triplet molecule and doublet radical, considering the hyperfine interaction of free radical and using the second order perturbation theory and density matrix of interaction representation, we calculated the radical spin polarization of the systems.

Key words: Electron spin polarization, PTPM, Density matrix

张先燚, 陆同兴, 许新胜, 孙文斌. 三重态分子/稳定自由基体系超精细相关CIDEP的理论计算[J]. 波谱学杂志, 2000, 17(2): 121-130.

ZHANG Xianyi, LU Tongxing, XU Xinsheng, SUN Wenbing. THEORETICAL CALCULATION OF HYPERFINE DEPENDENT CIDEP IN TRIPLET MOLECULE/FREE RADICAL[J]. Chinese Journal of Magnetic Resonance, 2000, 17(2): 121-130.