CAJ | 학술논문

以四烃硫基四硫富瓦烯(TTF)为研究对象，合成了6个新的π电子给体化合物，并用循环伏安法考察了其电化学性质，同时用比较分子力场(CoMFA)研究了TTF衍生物的结构与其电化学性质的三维定量结构性能关系，提出了对TTF结构改造的方法，对新型TTF类化合物的合成有重要的指导意义.
이사경류기사류부와희(TTF)위연구대상，합성료6개신적π전자급체화합물，병용순배복안법고찰료기전화학성질，동시용비교분자력장(CoMFA)연구료TTF연생물적결구여기전화학성질적삼유정량결구성능관계，제출료대TTF결구개조적방법，대신형TTF류화합물적합성유중요적지도의의.
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.