Issue 13, 2002

Hückel spectra of Möbius π systems

Abstract

Any Hückel π system with the Möbius-strip topology has a quotient property whereby its Hückel 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 Hückel and anti-Hückel monocycles, spectral embedding of twisted in untwisted cyclic polyacenes, and spectral inversion between in- and out-of-plane π sub-systems of odd-numbered rings in cluster molecules. Cartesian coordinates for Möbius graphs can be derived from those of the cylindrical parent.

Article information

Article type
Paper
Submitted
20 Feb 2002
Accepted
10 Apr 2002
First published
27 May 2002

Phys. Chem. Chem. Phys., 2002,4, 2878-2883

Hückel spectra of Möbius π systems

P. W. Fowler, Phys. Chem. Chem. Phys., 2002, 4, 2878 DOI: 10.1039/B201850K

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