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

Kartik Chandra Mondal; Sudipta Roy; Birger Dittrich; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky

doi:10.1002/anie.201511019

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

Kartik Chandra Mondal, Sudipta Roy, Birger Dittrich, Diego M. Andrada, Gernot Frenking, Herbert W. Roesky

科研成果: 期刊稿件 › 文章 › 同行评审

53 引用（Scopus）

摘要

Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl₄ (cAAC=cyclic alkyl(amino) carbene:C(CMe₂)₂(CH₂)N(2,6-iPr₂C₆H₃) with potassium graphite produces stable (cAAC)₃Si₃, a carbene-stabilized triatomic silicon(0) molecule. The Si-Si bond lengths in (cAAC)₃Si₃ are 2.399(8), 2.369(8) and 2.398(8) Å, which are in the range of Si-Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)₃Si₃ possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.

源语言	英语
页（从-至）	3158-3161
页数	4
期刊	Angewandte Chemie - International Edition
卷	55
期	9
DOI	https://doi.org/10.1002/anie.201511019
出版状态	已出版 - 24 2月 2016
已对外发布	是

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title = "A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene",

abstract = "Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl4 (cAAC=cyclic alkyl(amino) carbene:C(CMe2)2(CH2)N(2,6-iPr2C6H3) with potassium graphite produces stable (cAAC)3Si3, a carbene-stabilized triatomic silicon(0) molecule. The Si-Si bond lengths in (cAAC)3Si3 are 2.399(8), 2.369(8) and 2.398(8) {\AA}, which are in the range of Si-Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)3Si3 possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.",

keywords = "carbenes, clusters, density functional calculations, pi acceptors, silicon",

author = "Mondal, {Kartik Chandra} and Sudipta Roy and Birger Dittrich and Andrada, {Diego M.} and Gernot Frenking and Roesky, {Herbert W.}",

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T1 - A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene

AU - Mondal, Kartik Chandra

AU - Roy, Sudipta

AU - Dittrich, Birger

AU - Andrada, Diego M.

AU - Frenking, Gernot

AU - Roesky, Herbert W.

PY - 2016/2/24

Y1 - 2016/2/24

N2 - Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl4 (cAAC=cyclic alkyl(amino) carbene:C(CMe2)2(CH2)N(2,6-iPr2C6H3) with potassium graphite produces stable (cAAC)3Si3, a carbene-stabilized triatomic silicon(0) molecule. The Si-Si bond lengths in (cAAC)3Si3 are 2.399(8), 2.369(8) and 2.398(8) Å, which are in the range of Si-Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)3Si3 possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.

AB - Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl4 (cAAC=cyclic alkyl(amino) carbene:C(CMe2)2(CH2)N(2,6-iPr2C6H3) with potassium graphite produces stable (cAAC)3Si3, a carbene-stabilized triatomic silicon(0) molecule. The Si-Si bond lengths in (cAAC)3Si3 are 2.399(8), 2.369(8) and 2.398(8) Å, which are in the range of Si-Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)3Si3 possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.

KW - carbenes

KW - clusters

KW - density functional calculations

KW - pi acceptors

KW - silicon

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JO - Angewandte Chemie - International Edition

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ER -

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

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