Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: Observation and confirmation

被引:481
作者
Zhai, HJ
Alexandrova, AN
Birch, KA
Boldyrev, AI
Wang, LS
机构
[1] Washington State Univ, Dept Phys, Richland, WA 99352 USA
[2] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
[3] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA
关键词
ab initio calculations; aromaticity; boron; cluster compounds; photoelectron spectroscopy;
D O I
10.1002/anie.200351874
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Two types of aromaticity: Experimental and theoretical evidence shows that eight- and nine-atom boron clusters are perfectly planar molecular wheels, with a hepta- or octacoordinated central boron atom, respectively (see picture, B green). The radii of the miniature molecular wheels are found to be 1.8 and 2.0 Å. Analyses of their chemical bonding reveal that they possess double (σ and π) aromaticity, which is responsible for the wheel structures and the extreme coordination environments.
引用
收藏
页码:6004 / 6008
页数:5
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