Bonding and electronic structure of Cp*2Ru2(B8H14), a metallaborane analogue of dinuclear pentalene complexes

被引：9

作者：

Boucher, Benoit ^{[1
,2
]}

Ghosh, Sundargopal ^{[3
]}

Halet, Jean-Francois ^{[1
,2
]}

Kahlal, Samia ^{[1
,2
]}

Saillard, Jean-Yves ^{[1
,2
]}

机构：

[1] Univ Rennes 1, UMR CNRS, Inst Sci Chim Rennes 6226, F-35042 Rennes, France

[2] Univ Europeenne Bretagne, F-35000 Rennes, France

[3] Indian Inst Technol, Dept Chem, Madras 600036, Tamil Nadu, India

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2012年 / 721卷

关键词：

Cluster compounds; Density functional theory calculations; Iron; Metallaborane complexes; Pentalene; Ruthenium; DENSITY-FUNCTIONAL THEORY; NUMERICAL-INTEGRATION; ENERGY; APPROXIMATION; COORDINATION; BORANES; NI; CO;

D O I：

10.1016/j.jorganchem.2012.08.033

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

DFT calculations were carried out on compound Cp*Ru-2(2)(B8H14) that suggests a strong link with the pentalene complex Cp*Fe-2(2)(C8H6). Both compounds exhibit similar bonding modes and qualitatively related electronic structures. There are however, differences which are related to the weaker B-B bond in the B8H14 ligand as compared to the C-C bond in the pentalene ligand. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：167 / 172

页数：6

共 46 条

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Shinohara, A
Hayashi, K
Nomiya, K
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ADACHI, T
UEDA, T
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BABA, K
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