M（C3S5）2型分子导体的制备及其电磁和电荷转移性质

制备了晶态分子导体Ｎｉ（Ｃ３Ｓ３）２，Ｐｄ（Ｃ３Ｓ３）２，Ｐｔ（Ｃ３Ｓ３）２和无定形分子导体Ｃｕ（Ｃ３Ｓ３）２，测定它们的电阻－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，计算了Ｎｉ（Ｃ３Ｓ５）２晶体的能带，在此基础上阐明了Ｎｉ（Ｃ３Ｓ５）２的导电机组理和半导体→导体相变的机理，讨论了Ｍ（Ｃ３Ｓ３）２＾２－与（Ｍ（Ｃ３Ｓ３）２＾－，（Ｍ（Ｃ３Ｓ２）２）＾

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

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.