Magnetic gap and partial charge transfer in mixed donor-acceptor stacks

Z. G. Soos, S. Mazumdar

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

The ground state charge transfer γ(z) and magnetic gap ΔEm(z) of organic donor-acceptor complexes with one dimensional⋯DADA⋯ stacks are computed for arbitrary ratios of z = δ/2 1 2|t|where |t| is the charge-transfer integral and -2δ is the excitation energy for a D+A- electron-hole pair. Valence bond techniques give exact results for rings of N = 4, 6, 8, and 10 sites, which suffice to show that the neutral-ionic transition and ΔEm(z) → 0 occur at zc = 0.53 ± 0.01 with γ(zc) = 0.68 ± 0.01.

Original languageEnglish (US)
Pages (from-to)515-518
Number of pages4
JournalChemical Physics Letters
Volume56
Issue number3
DOIs
StatePublished - Jun 15 1978

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ASJC Scopus subject areas

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

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