B13+ is highly aromatic

被引:94
作者
Aihara, J [1 ]
机构
[1] Shizuoka Univ, Fac Sci, Dept Chem, Oya, Shizuoka 4228529, Japan
关键词
D O I
10.1021/jp010190f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
As postulated by Fowler and Ugalde [J. Phys. Chem. A 2000, 104, 397], the lowest-energy B-13(+) isomer proved to be highly aromatic. The topological resonance energy of this cationic boron cluster is positive in sign and very large in magnitude. This constitutes the definitive reason B-13(+) is kinetically stable and planar or quasiplanar in geometry. The electron-deficient and multivalent character of boron is responsible for the high aromaticity of this cluster. In addition, its minimum bond resonance energy is not too small.
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页码:5486 / 5489
页数:4
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