Electronic and molecular structures of α,ω-diphenylpolyynes in the lowest excited triplet states

Yasutomo Nagano, Tadaaki Ikoma, Kimio Akiyama, Shozo Tero-Kubota

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Unusually large D values of zero-field splitting parameters were observed for 1,6-diphenylhexatriyne (D=0.396 cm-1) and 1,8-diphenyloctatetrayne (D=0.533 cm-1) by using time-resolved EPR (TREPR) spectroscopy. The lowest excited triplet (T1) states of these diphenylpolyynes were assigned to 3B1u(3πxπ *x) in character from the degree of the polarization of phosphorescence. It has been concluded that the present diphenylpolyynes have a linear planar structure in the T1 states, although the TREPR and phosphorescence spectra indicate interactions between the T1(3πxπ*x) and Tn(3πxπ*y) states through spin-orbit and vibronic interactions.

Original languageEnglish
Pages (from-to)201-208
Number of pages8
JournalChemical Physics Letters
Volume303
Issue number1-2
DOIs
Publication statusPublished - 1999 Apr 2

ASJC Scopus subject areas

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

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