Change of geometry of polyacetylene upon charge transfer

Miklós Kertész, F. Vonderviszt, S. Pekker

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Crystal orbital calculations on cis- and trans-polyacethylene chains indicate two kinds of geometry changes on charge transfer. (1) increase (decrease) of the CC bond lenght and CCC bond angles in the trans conformer taking up (losing) electrons, and (u) ̇ a tendency towards bond-length equalization on electron uptake and loss for both conformers.

Original languageEnglish
Pages (from-to)430-433
Number of pages4
JournalChemical Physics Letters
Volume90
Issue number6
DOIs
Publication statusPublished - Aug 20 1982

Fingerprint

Polyacetylenes
polyacetylene
Charge transfer
charge transfer
Orbital calculations
Geometry
Electrons
Bond length
geometry
tendencies
electrons
orbitals
Crystals
crystals

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Change of geometry of polyacetylene upon charge transfer. / Kertész, Miklós; Vonderviszt, F.; Pekker, S.

In: Chemical Physics Letters, Vol. 90, No. 6, 20.08.1982, p. 430-433.

Research output: Contribution to journalArticle

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