Huckel spectra of Mobius π systems

被引:20
作者
Fowler, PW [1 ]
机构
[1] Univ Exeter, Sch Chem, Exeter EX4 4QD, Devon, England
关键词
D O I
10.1039/b201850k
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
Any Huckel pi system with the Mobius-strip topology has a quotient property whereby its Huckel spectrum is the ungerade, and its adjacency spectrum the gerade half of the spectrum of a centrosymmetric cylindrical graph with twice as many vertices. Consequences include the spectral complementarity of Huckel and anti-Huckel monocycles, spectral embedding of twisted in untwisted cyclic polyacenes, and spectral inversion between in- and out-of-plane pi sub-systems of odd-numbered rings in cluster molecules. Cartesian coordinates for Mobius graphs can be derived from those of the cylindrical parent.
引用
收藏
页码:2878 / 2883
页数:6
相关论文
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