Quantum chemistry calculation study on photosensitization of perylenequinonoid derivatives

被引：0

作者：

Zhang, HY ^{[1
]}

机构：

[1] Shandong Normal Univ, Dept Biol, Prov Key Lab Anim Resistance Biol, Jinan 250014, Peoples R China

来源：

ACTA BIOCHIMICA ET BIOPHYSICA SINICA | 1998年 / 30卷 / 03期

关键词：

perylenequinonoid derivatives; photosensitization; quantum chemistry;

D O I：

暂无

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

AM1 method has been employed to calculate perylenequinonoid photosensitizers (PQDs). Parameters such as heat of formation(HF), HOMO, LUMO levels and spin density distribution of free radicals are obtained. In combination with experimental results, several photophysical and photochemical characteristics of PQDs are elucidated, which lay a foundation for investigating photosensitive mechanisms of PQDs further.

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页码：272 / 276

页数：5

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