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本文总结了作者们研究一系列两核和三核钼原子簇化合物的结果。这些化合物是三核原子簇: (C_5H_7S_2)_3[Mo_3(μ_3-S)_2(μ_2-Cl)_3Cl_6] (Ⅰ); (C_5H_7S_2)_3[Mo_3(μ_3-S)(μ_2-S_2)_3Cl_7] (Ⅱ); Mo_3(μ_3-S)(μ_2-S_2)_3[S_2P(OEt)_2)_3Cl (Ⅲ); (Et_4N)_2[Mo_3(μ_3-O)(μ_2-Cl)_3(Oac)_2Cl_5] (Ⅳ); (C_5H_7S_2)[Mo_3(μ_3-O)(μ_2-Cl)_3(Oac)_3Cl_3] (Ⅴ); 和两核原子簇: (C_5H_7S_2)_3[Mo_2Cl_9] (Ⅵ); M0_2S_4[S_2P(OEt)_2]_2 (Ⅶ)。 本文的第一部分简要地介绍了这些化合物的合成方法。第二部分扼要地给出了这些化合物的晶体与分子结构。簇合物Ⅰ是离子型结构,簇阴离子是双(S)帽三核原子簇,每个Mo原子周围为八面体六配位,Mo—Mo间距为2.617。簇阴离子Ⅱ和簇分子Ⅲ均是单(S)帽三核簇,Mo原子周围为畸变五角双锥构型,Mo—Mo键长分别为2.751和2.725。簇阴离子Ⅳ和Ⅴ均是单(O)帽三核簇,Mo原子周围的配位为畸变八面体,Mo—Mo键长分别为2.597和2.577。化合物Ⅵ是三(μ_2—Cl)桥两核原子簇,其构型为两个共面八面体,Mo—Mo间距为2.707。化合物Ⅶ为双(S)桥两核原子簇,Mo原子周围为四角锥配位,Mo—Mo键长为2.828。 本文的第三部分用简化分子轨道方法分析了三种主要类型的三核钼原子簇中Mo_3体系的M—M键?
This article summarizes the authors’ results of studying a series of binary and triple-core molybdenum cluster compounds. These compounds are three-nuclear clusters: (C_5H_7S_2) _3 [Mo_3 (μ_3-S) _2 (μ_2-Cl) _3Cl_6] (Ⅰ); (C_5H_7S_2) _3 [Mo_3 (Mo_3 (μ_3-S) (μ_2-S_2) _3 [S_2P (OEt) _2) _3Cl (Ⅲ); (Et_4N) _2 [Mo_3 (μ_3-O) (μ_2-Cl) _3 (Oac) _2Cl_5] (C_5H_7S_2) _3 [Mo_2Cl_9] (Ⅵ); M0_2S_4 [S_2P (OEt); (C_5H_7S_2) [Mo_3 (μ_3-O) (μ_2-Cl) _3 (Oac) _3Cl_3] ) _2] _2 (Ⅶ). The first part of this article briefly introduces the synthesis of these compounds. The second part gives a summary of the crystal and molecular structure of these compounds. Cluster I is an ionic structure and the cluster anions are double (S) cap triple-core clusters. Each Mo atom is octahedron six-coordinated with a Mo-Mo spacing of 2.617. Both cluster anion II and cluster III are single (S) cap triple-core clusters, and the Mo atoms have a distorted pentagonal bipyramid configuration with Mo-Mo bond lengths of 2.751 and 2.725, respectively. Cluster anions Ⅳ and Ⅴ are single (O) cap triple-core clusters, and the coordination around Mo atoms is distorted octahedron with Mo-Mo bond lengths of 2.597 and 2.577, respectively. Compound Ⅵ is a two-core cluster of three (μ_2-Cl) bridges with two co-planar octahedra and a Mo-Mo spacing of 2.707. Compound Ⅶ is a bidentate nuclear cluster with double (S) bridges, and the tetragonal pyramids are coordinated around Mo atoms. The Mo-Mo bond length is 2.828. In the third part of this paper, we have analyzed the M-M bonds of the Mo_3 system in the three main types of trinuclear molybdenum clusters by the simplified molecular orbital method.