摘要
应用ＥＨＭＯ法研究了一系列含ｄｐｐｍ双二苯基膦甲烷桥的双核过渡金属配合物［ＰｄＢｒ（ｄｐｐｍ）］_２，Ｍ_２Ｃｌ_２（μ－ＣＯ）（ｄｐｐｍ）_２（Ｍ＝Ｐｄ，Ｒｈ），［ＲｈＣｌ（ＣＯ）（ｄｐｐｍ）］_２，Ｍ_２－（μ－Ｃｌ）_２Ｃｌ_４（ｄｐｐｍ）_２（Ｍ＝Ｎｂ、Ｔａ、Ｒｅ、Ｒｕ）的电子结构。根据配合物的成键特征，对其金属－金属的相互作用进行了分析。计算结果可以作为解释这类配合物的某些物理化学性质的理论依据。
The electronic structures of a series of binuclear transition-metal complexes with bridging ligands dppm , [PdBr (dppm)]_2, M_2Cl_2 (μ-CO) (dppm)_2(M = Pd ,Rh) . [RhCO (dppm) Cl]_2.and [M_2(μ-Cl)_2Cl_2 (dppm)_2](M = Nb, Ta, Mo, Re, Ru), have been studied by using the EHMO method, and the metal-metal interactions are analyzed on the basis of bonding characteristics of these complexes. According to the results of calculations some physical and chemical properties of these complexes can be explained theoretically.
