M(C_3S_5)_2型分子导体的制备及其电磁和电荷转移性质

THE PREPERATIONS,ELECTRIC AND MAGNETIC PROPERTIES,AND CHARGE TRANSFER PROPERTIES OF M(C_3S_5)_2 TYPE OF MOLECULAR CONDUCTORS

制备了晶态分子导体M（C3S3）2，Pd（C3S3）2；Pt（C3S3）和无定形分子导体Cu（C3S3）2，测定了它们的电阻-温度曲线，磁化率-温度曲线．结合EHMO理论计算与波谱分析，得出导电组元的分子轨道形式．计算TNi（C3S5）2晶体的能带，在此基础上阐明Ni（C3S5）2的导电机理和半导体→导体相变的机理讨论了[M（C3S3）2]2-与[M（C3S3）2]-，[M（C3S3）2]0。

Crystalline molecular conductors Ni(C3S3)2. Pd(C3S3)2 and Pt(C3S3)2 have been prepared and the material synthesizing conditions have been discussed. The resistance-temperature curves and the magnetic susceptibility-temperature curves have been determined. Based on molucular and crystal orbital calculations and spectroscopic analyses, the energy band structure of Ni(C3S3)2 has been propoesd. The charge transfer between IM(C3S3)2]-and M(C353)2;between [M(C3S3)2]2- and IM(C3S3)2]-; and between [M(C3S3)2]2-and M(C3S3)2 have also been studied.