Bis[-µ-methyl-1.3-dimethyl-h3 -allyl-nickel] Struktur und Bindungsverhältnisse eines Alkyl-verbrückten Ni-Ni-Systems / Bis [-µ-methyl-1,3-dimethyl-h3 -allyl-nickel] The Bonding in an Alkyl-Bridged Ni-Ni System
Bis[-µ-methyl-1.3-dimethyl-h3 -allyl-nickel] Struktur und Bindungsverhältnisse eines Alkyl-verbrückten Ni-Ni-Systems / Bis [-µ-methyl-1,3-dimethyl-h3 -allyl-nickel] The Bonding in an Alkyl-Bridged Ni-Ni System
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双[-μ-甲基-1,3-二甲基-h3-烯丙基-镍] 烷基连接镍-镍系统/双[-μ-甲基-1,3-二甲基-h3-烯丙基-镍] 结构和结合] 烷基桥 Ni-Ni 体系中的键合
DOI：
10.1515/znb-1978-1014
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发表时间：
1978
期刊：
影响因子：
--
通讯作者：
R. Hoffmann
中科院分区：
文献类型：
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作者：
C. Krüger;J. Sekutowski;H. Berke;R. Hoffmann
摘要 描述了抗磁性标题化合物(1)的晶体结构，a = 9.9594(9)，b = 9.3895(7)，c = 14.8434(8)，β = 95.112(5)。每个带有h3-C5H9基团的两个配位的方形平面镍原子通过两个甲基桥连接在一起，其中h3-C5H9基团围绕两个镍原子呈顺式分布。该分子围绕其中心折叠，因此 Ni-Ni 距离仅为 2.371，表明不饱和金属体系内存在很强的相互作用。桥接甲基形成新颖的、稍微不对称的二电子-三中心键合系统。通过MO方法分析1的电子结构。解释了镍-镍相互作用的性质以及这些不饱和系统的稳定因素。围绕一种低能量 LUMO 引线的讨论
Abstract The crystal structure of the diamagnetic title compound (1), a = 9.9594(9), b = 9.3895(7), c = 14.8434(8), β = 95.112(5) is described. Two co-ordinatively square planar nickel atoms each carrying a h3-C5H9 group are linked together by two methyl bridges, with the h3-C5H9 groups lying cisoid about the two nickel atoms. The molecule is folded about its centre so that the Ni-Ni distance is only 2.371, indicating a strong interaction within the unsaturated metal system. The bridging methyl groups form novel, slightly unsymmetrical two electron - three centre bonding systems. The electronic structure of 1 is analysed by MO methods. The nature of the nickel-nickel interaction as well as the stabilising factors of these unsaturated systems are explained. A discussion centred about one low energy LUMO leads