Abstract：The full-optimized molecular geometries of 10 compounds CF_3IXY(X,Y=F,Cl,Br,I) were calculated at HF/STO-3G and DFT/B3LYP/6-31G(d) lever with Gaussian98W program, their bond energies were also calculated. The relationships among geometries, bonding characteristics, bond energies and their chemical properties were also studied. The chemical reactivity and the possibility of synthesizing of the other compounds of the series were further prognosticated.
收稿日期: 2004-03-25
引用本文:
胡宗球 丁瑜 胡学步 祝心德 宋发辉 王成刚. 化合物CF3IXY(X,Y=F,Cl,Br,I)成键特性的理论研究[J]. , 2004, 43(3): 0-0.
胡宗球 丁瑜 胡学步 祝心德 宋发辉 王成刚. Theoretical study on bonding characteristic of compounds CF3IXY (X,Y=F,Cl,Br,I). , 2004, 43(3): 0-0.
