Symmetry breaking of full face-to-face arrangement of homonuclear π-electron molecules in 1-D stacks

N. Tyutyulkov, A. Staykov, K. Müllen, F. Dietz

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We investigate a new type of structural instability of regular 1-D molecular stacks consisting of homonuclear disc-like molecules, in particular of polycyclic aromatic hydrocarbons. If the repeating units are separated by mirror planes of symmetry, it is shown that the interaction energy of such systems is non-bonding, i.e., the ground state is unstable with regard to a distorsion which eliminates the symmetry plane.

Original languageEnglish
Pages (from-to)314-318
Number of pages5
JournalChemical Physics Letters
Volume373
Issue number3-4
DOIs
Publication statusPublished - May 20 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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