高等学校化学学报2001，Vol.22Issue(1)：95-98,4.
四烃硫基四硫富瓦烯的电化学性质及三维定量结构性能关系研究
Studies on Electrochemical Properties of Tetrahydrocarbonthiatetrathiafulvalenes and Their Three-dimensional Quantitative Structure-property Relationship (3D-QSPR)
摘要
Abstract
Three-dimensional quantitative structure-property relationship (3D-QSPR) and comparative molecular field analysis (CoMFA) have been applied to elucidating the correlation of the structures of tetrahydrocarbonthia-tetrathiafulvalenes(TTF) and their electrochemical properties.Six new π-donor TTF molecules are prepared and their electrochemical properties have also been investigated by cyclic voltammogram.CoMFA resulted in a quantitative description of major steric and electrostatic field effects,and gave significant new insights to the factors governing electrochemical properties.The model was used to predict the half-wave potentials of TTF with satisfactory results.关键词
四烃硫基四硫富瓦烯/三维定量结构性能关系/循环伏安法分类
化学化工引用本文复制引用
李华,田敏,张四纯,高鸿..四烃硫基四硫富瓦烯的电化学性质及三维定量结构性能关系研究[J].高等学校化学学报,2001,22(1):95-98,4.
