A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene

被引：46
作者：
Mondal, Kartik Chandra [1 ]
Roy, Sudipta [1 ]
Dittrich, Birger [2 ]
Andrada, Diego M. [3 ]
Frenking, Gernot [3 ]
Roesky, Herbert W. [1 ]
机构：
[1] Univ Gottingen, Inst Anorgan Chem, Tammannstr 4, D-37077 Gottingen, Germany
[2] Univ Dusseldorf, Anorgan Chem & Strukturchem 2, Gebaude 26-42-O1-21,Univ Str 1, D-40225 Dusseldorf, Germany
[3] Univ Marburg, Fachbereich Chem, Hans Meerwein Str, D-35032 Marburg, Germany
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2016年 / 55卷 / 09期
关键词：
carbenes; clusters; density functional calculations; pi acceptors; silicon; CORRELATION-ENERGY; BASIS-SETS; DENSITY; CRYSTAL; APPROXIMATION; CONTINUUM; SPECTRA; ATOM;
D O I：
10.1002/anie.201511019
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl4 (cAAC=cyclic alkyl(amino) carbene :C(CMe2)(2)(CH2)N(2,6-iPr(2)C(6)H(3)) with potassium graphite produces stable (cAAC)(3)Si-3, a carbene-stabilized triatomic silicon(0) molecule. The Si-Si bond lengths in (cAAC)(3)Si-3 are 2.399(8), 2.369(8) and 2.398(8)angstrom, which are in the range of Si-Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)(3)Si-3 possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.
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页码：3158 / 3161
页数：4
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