C⁴⁻ carbide ligand in the trigonal prismatic environment of rheniums in [Re₁₂CS₁₇(CN)₆]ⁿ

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• 作者：Svetlana G. Kozlova ; Svyatoslav P. Gabuda ; Vladimir A. Slepkov ; Yuri V. Mironov ; Vladimir E. Fedorov
• 关键词：Carbon atom ; Twelve nuclear rhenium clusters ; ELF
• 刊名：Polyhedron
• 出版年：2008
• 出版时间：29 September 2008
• 年：2008
• 卷：27
• 期：14
• 页码：3167-3171
• 全文大小：2565 K

文摘

The electronic state of carbon in trigonal prismatic environment in [Re₁₂CS₁₇(CN)₆]ⁿ⁻ complexes with variable redox state n = 6 ↔ 8 was studied by molecular orbital method and electron localization function. The state is characterized by sp²-hybridisation and oxidation state −4. A weak long-distance interaction between μ₆-С and μ₂-S in the group [(μ₆-С)(μ₂-S)₃] was discovered for n = 6, the interaction disappears for n = 8.