Synthesis and Electronic Structure of A2B Type Halogen Atoms Substituted H3-Triarylcorroles  

作　　者：李敏智 朱卫华 MACK John MKHIZE Scebi NYOKONG Tebello 梁旭 

机构地区：[1]School of Chemistry and Chemical Engineering, Jiangsu University [2]Department of Chemistry, Rhodes University

出　　处：《Chinese Journal of Structural Chemistry》2017年第3期367-380,共14页结构化学（英文）

基　　金：financially supported by the National Natural Science Foundation of China(No.21171076);Natural Science Foundation of Jiangsu Province(No.BK20160499)to XL and WZ and an NRF of South Africa CSUR grant(uid:93627)to JM

摘　　要：Seven electron-deficient A_2 B type H_3-triarylcorroles have been synthesized and characterized. The solvent dependence of the electronic absorption and magnetic circular dichroism（MCD） spectra and a series of TD-DFT calculations have been used to analyze trends in the electronic structures. Significant differences are observed in the optical spectra when solvents of differing polarity are used,which can be assigned to the effect of NH-tautomerism.Seven electron-deficient A_2 B type H_3-triarylcorroles have been synthesized and characterized. The solvent dependence of the electronic absorption and magnetic circular dichroism（MCD） spectra and a series of TD-DFT calculations have been used to analyze trends in the electronic structures. Significant differences are observed in the optical spectra when solvents of differing polarity are used,which can be assigned to the effect of NH-tautomerism.

关 键 词：A_2B type corrole solvatochromism electronic structure spectroscopy TD-DFT 

分 类 号：O641.4[理学—物理化学]