Charge transfer induced excited state twisting of N,N-dimethylaminobenzylidene-1,3-indandione in solution

V. Gulbinas, G. Kodis, S. Jursenas, L. Valkunas, A. Gruodis, J. C. Mialocq, S. Pommeret, T. Gustavsson

Research output: Contribution to journalArticle

47 Scopus citations

Abstract

Nonradiative excited-state relaxation via charge transfer induced twisting of N,N-dimethylaminobenzylidene-1,3-indandione (DMABI) in solution was investigated by means of picosecond transient absorption and femtosecond fluorescence spectroscopy. The analysis of the experimental data allows us to distinguish between different reaction stages of the molecular twisting in excited and ground states, as well as to consider the molecular dynamics along reactive (twisting) and nonreactive (solvation) coordinates. Quantum chemical calculations of the electronic structure of DMABI and its dependence on the molecular conformation are discussed in order to identify the bond(s) involved in the twisting reaction. It is found that such a twisting bond is the C=C double bond, which is substantially weakened in the excited state.

Original languageEnglish (US)
Pages (from-to)3969-3980
Number of pages12
JournalJournal of Physical Chemistry A
Volume103
Issue number20
DOIs
StatePublished - May 20 1999
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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    Gulbinas, V., Kodis, G., Jursenas, S., Valkunas, L., Gruodis, A., Mialocq, J. C., Pommeret, S., & Gustavsson, T. (1999). Charge transfer induced excited state twisting of N,N-dimethylaminobenzylidene-1,3-indandione in solution. Journal of Physical Chemistry A, 103(20), 3969-3980. https://doi.org/10.1021/jp9845468