Synthesis, NMR and quantum chemical studies of the [Cp3Rh3Se2]2+ clusters (Cp = η5-C5Me5, η5-C5Me4Et, η5-C5H3tBu2)

被引：0
作者：
P. A. Abramov
M. N. Sokolov
I. V. Mirzaeva
N. K. Moroz
机构：
[1] Nikolayev Institute of Inorganic Chemistry SB RAS,
[2] Novosibirsk State University,undefined
来源：
Russian Journal of Coordination Chemistry | 2013年 / 39卷
关键词：
ZnSe; Bond Critical Point; Quantum Chemical Study; Electron Localiza Tion Function; CCPs;
D O I：
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摘要：
Reactions of [CpRhCl2]2 (Cp = η5-C5Me5 (Cp*), η5-C5Me4Et (Cp′), η5-C5H3tBu2(Cp″)) with in situ generated H2Se give triangular [Cp3Rh3Se2]2+ clusters. These clusters were isolated as PF6 salts and characterized with ESI-MS, 77Se, 1H NMR and DFT calculations. [Cp3Rh3Se2] undergoes two reversible two-electron reduction steps. Quantum-chemical calculations reveal non-trivial bonding situation in the cluster core and changes in the hapticity of the Cp* ligand upon reduction. Crystal structure of [Cp3*Rh3Se2][Re2(μ-Cl)3(CO)6]Cl · 3.3H2O has been determined.
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页码：379 / 387
页数：8
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