Synthesis and Structure of [Ni{Ga−C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)
Synthesis and Structure of [Ni{Ga−C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)
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[Ni{Ga−C(SiMe3)3}4] 的合成和结构以及模型化合物 [Ni(EMe)4] 中强 π 背键的量子化学验证 (E = B, Al, Ga, In, ）
DOI：
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
J. Uddin
中科院分区：
文献类型：
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作者：
W. Uhl;M. Benter;S. Melle;W. Saak;G. Frenking;J. Uddin
双（环辛二烯）镍与Ga 4 [C（SiMe 3）3]4（1）反应产生类似于[Ni（CO）4]的配位化合物[Ni{Ga-C（SiMe 3）3}4]，其显示中心镍原子的四面体配位、线性Ni-Ga-C基团和非常短的Ni-Ga距离。对模型配合物[Ni（EMe）4]（E = B、Al、Ga、In、TI）的量子化学DFT计算验证了镍到第13族元素的空p（π）轨道的电子密度的强π反馈，这比四羰基镍本身更有效。
The reaction of bis(cyclooctadiene)nickel with Ga4[C(SiMe3)3]4 (1) yields a coordination compound analogous to [Ni(CO)4], [Ni{Ga−C(SiMe3)3}4], which shows a tetrahedral coordination of the central nickel atom, linear Ni−Ga−C groups, and very short Ni−Ga distances. Quantum-chemical DFT calculations on the model complexes [Ni(EMe)4] (E = B, Al, Ga, In, Tl) verify strong π back-donation of electron density from nickel to the empty p(π) orbitals of the group 13 elements, which is more effective than in tetracarbonylnickel itself.