Beyond the icosahedron: The first 13-vertex carborane

被引：109

作者：

Burke, A ^{[1
]}

Ellis, D ^{[1
]}

Giles, BT ^{[1
]}

Hodson, BE ^{[1
]}

MacGregor, SA ^{[1
]}

Rosair, GM ^{[1
]}

Welch, AJ ^{[1
]}

机构：

[1] Heriot Watt Univ, Dept Chem, Edinburgh EH14 4AS, Midlothian, Scotland

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2003年 / 42卷 / 02期

关键词：

boron; carboranes; density functional calculations; structure elucidation; synthetic methods;

D O I：

10.1002/anie.200390085

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Cornering the 13th vertex: The first 13-vertex carborane (see picture, B: brown, C: gray, H: white) has been prepared by a methodology that can in principle be applied repeatedly, leading to 14-, 15-, 16-, ... vertex carboranes in the future. The 13-vertex species has a henicosahedral geometry, not the docosahedral one expected, but the two forms are found to be very close in energy by DFT calculations.

引用

页码：225 / +

页数：5

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