Excited singlet state absorption spectra and relaxation kinetics of the azanaphthalenes

David W. Boldridge, Gary W. Scott

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Picosecond excited-state singlet-singlet absorption spectra (S n←S1) and excited-state decay kinetics are reported for several diazanaphthalenes and a triazanaphthalene in room temperature solution. New Sn (1nπ*) state energies are obtained empirically from these spectra. INDO-PSDCI molecular orbital calculations are used to confirm the Sn←S1 nature of the excited state transitions observed. Decay rates are calculated from models based on a semiempirical molecular orbital formalism, and these calculated rates are compared with the observed ones. Agreement of the calculated and observed rates are good except in cases of substantial nπ*-ππ* mixing of the actual excited states and in a particular case of high molecular symmetry (1,5-naphthyridine).

Original languageEnglish
Pages (from-to)6790-6798
Number of pages9
JournalJournal of Chemical Physics
Volume84
Issue number12
DOIs
StatePublished - 1986

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