A Simple Link between Hydrocarbon and Borohydride Chemistries

被引：58

作者：

Poater, Jordi ^{[1
,2
]}

Sola, Miquel ^{[1
,2
]}

Vinas, Clara ^{[3
]}

Teixidor, Francesc ^{[3
]}

机构：

[1] Univ Girona, Inst Quim Comp, Girona 17071, Catalonia, Spain

[2] Univ Girona, Dept Quim, Girona 17071, Catalonia, Spain

[3] CSIC, Inst Ciencia Dels Mat, Bellaterra 08193, Spain

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2013年 / 19卷 / 13期

关键词：

boron; density functional calculations; hydrocarbons; multicentered bonds; sacrificial atoms; ELECTRON LOCALIZATION; DOUBLE-BOND; BORON; DELOCALIZATION; LIGAND; COMPLEXES; MOLECULES; REDUCTION; CLUSTERS; SYSTEMS;

D O I：

10.1002/chem.201204397

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A clear link between the hydrocarbon and borohydride chemistries is established by showing that hydrocarbons and borohydrides have a common root regulated by the number of valence electrons in a confined space. Application of the proposed method to archetypal hydrocarbons leads to well-known borohydrides but, more importantly, it allows the design of new and interesting boron-containing molecules that can be a source of inspiration for synthetic chemists.

引用

页码：4169 / 4175

页数：7

共 59 条

[1] Flattening the B6H62- octahedron.: Ab initio prediction of a new family of planar all-boron aromatic molecules [J].