牡丹江师范学院学报（自然科学版）Issue(1)：39-42,4.
轴向取代卟啉锌结构和光谱性质的研究
Structural and Spectroscopic Properties of Axially Substituted Porphyrin Zinc
摘要
Abstract
In the density functional theory,B3LYP level,using 6-31G basis set,the structure of ZnPor(C37 H29 O3 N),ZnPor(C42 H37 O5 N)and ZnPor(C32 H30 O4 N)molecules was opti-mized,simulate the infrared and ultraviolet absorption spectra,the structure and properties of these three molecules were compared and analyzed.Experimental results show that,Zn-Por(C42 H37 O5 N)has the potential to do solar sensitizer.关键词
卟啉锌/密度泛函理论/红外光谱/紫外光谱Key words
zinc porphyrin/density functional theory/Infrared spectrum/UItraviolet spec-trum分类
化学化工引用本文复制引用
宁桧,孙守鹏,蔡雪..轴向取代卟啉锌结构和光谱性质的研究[J].牡丹江师范学院学报（自然科学版）,2017,(1):39-42,4.基金项目
黑龙江省博士后科研启动金资助项目(LBH-Q13170) （LBH-Q13170）
