Boron di- and tri-cations

被引：39

作者：

Vargas-Baca, Ignacio ^{[1
]}

Findlater, Michael ^{[2
]}

Powell, Adam ^{[2
]}

Vasudevan, Kalyan V. ^{[2
]}

Cowley, Alan H. ^{[2
]}

机构：

[1] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada

[2] Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA

来源：

DALTON TRANSACTIONS | 2008年 / 45期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1039/b810575h

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Previous work on boron di- and tri-cations is reviewed. The structural chemistry of representative examples of these classes of compound has been probed by determination of the single-crystal X-ray structures of [(4-Mepy)(4)B]Br-3 and [py(3)BH]Br-2. The electronic structures of the polycations [(py)(3)BH](2+), [(py)(3)BBr](2+), [(4-Mepy)(3)BH](2+), [(4-Mepy)(4)B](3+), [(Me3P)(3)BH](2+) and [(Me3P)(4)B](3+) have been examined by DFT methods. The atomic charges on these cations were evaluated by Mulliken, natural population analysis (NPA), Hirschfeld and Voronoi deformation density (VDD) methods.

引用

页码：6421 / 6426

页数：6

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