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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Understanding the electron counts of aluminum metalloid clusters
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Understanding the electron counts of aluminum metalloid clusters

机译:了解铝准金属簇的电子数

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摘要

The structures and bonding of several Al metalloid clusters have been analyzed with the aid of density functional theory calculations. These clusters include [Al-7{N(SiMe3)(2)}(6)](-) (1), [Al-12{N(SiMe3)(2)}(8)](-) (2), [Al22Br20.12THF] (3) [Al-14{N(SiMe3)(2)}(6)I-6](2-) (4), Al-14(mu(8)-Si)Cp-6(*) (5), [(AlEt)(8)(mu(4)-CCH2Ph)(5)(mu(4)-H)] (6), [(AlMe)(8)(mu(4)-CCH2Ph)(5)(mu(4)-Cequivalent toCph)] (7) and [(AlMe)(7)(mu(4)-CCH2Me)(4)(mu(2)-H)(2)] (8). In this paper, an attempt has been made to illustrate the relationship between the observed geometry and electron counts for these metalloid clusters. (C) 2002 Elsevier Science Ltd. All rights reserved. [References: 41]
机译:借助密度泛函理论计算,分析了几个Al类金属簇的结构和键合。这些簇包括[Al-7 {N(SiMe3)(2)}(6)](-)(1),[Al-12 {N(SiMe3)(2)}(8)](-)(2) ,[Al22Br20.12THF](3)[Al-14 {N(SiMe3)(2)}(6)I-6](2-)(4),Al-14(mu(8)-Si)Cp- 6(*)(5),[(AlEt)(8)(mu(4)-CCH2Ph)(5)(mu(4)-H)](6),[(AlMe)(8)(mu(4 )-CCH2Ph)(5)(mu(4)-等效于Cph)](7)和[(AlMe)(7)(mu(4)-CCH2Me)(4)(mu(2)-H)(2) ](8)。在本文中,已尝试说明这些准金属簇的观察到的几何形状与电子计数之间的关系。 (C)2002 Elsevier ScienceLtd。保留所有权利。 [参考:41]

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