New class of non-Kekulé radical polymethines: Theoretical study

N. Tyutyulkov, N. Drebov, A. Staykov, A. Tadjer

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

A new class of open-shell polymethine monoradicals, possessing nonbonding molecular orbitals (NBMO) and very low excitation energies, was investigated theoretically. The radicals are derivatives of the stable 2-azaphenalenyl radical. Since in the ground state the NBMO is strictly localized within a molecular fragment, the electron transitions are connected with a substantial charge-transfer.

Original languageEnglish
Pages (from-to)1396-1404
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume107
Issue number6
DOIs
Publication statusPublished - May 1 2007
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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