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

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

Research output: Contribution to journalArticle

47 Citations (Scopus)

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
StatePublished - May 20 1999
Externally publishedYes

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twisting
Excited states
Charge transfer
charge transfer
excitation
Solvation
Fluorescence spectroscopy
Ground state
Electronic structure
Conformations
Molecular dynamics
solvation
1,3-indandione
molecular dynamics
electronic structure
fluorescence
ground state
spectroscopy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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

Charge transfer induced excited state twisting of N,N-dimethylaminobenzylidene-1,3-indandione in solution. / Gulbinas, V.; Kodis, Gerdenis; Jursenas, S.; Valkunas, L.; Gruodis, A.; Mialocq, J. C.; Pommeret, S.; Gustavsson, T.

In: Journal of Physical Chemistry A, Vol. 103, No. 20, 20.05.1999, p. 3969-3980.

Research output: Contribution to journalArticle

Gulbinas, V, Kodis, G, Jursenas, S, Valkunas, L, Gruodis, A, Mialocq, JC, 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, vol. 103, no. 20, pp. 3969-3980.
Gulbinas V, Kodis G, Jursenas S, Valkunas L, Gruodis A, Mialocq JC et al. Charge transfer induced excited state twisting of N,N-dimethylaminobenzylidene-1,3-indandione in solution. Journal of Physical Chemistry A. 1999 May 20;103(20):3969-3980.
Gulbinas, V. ; Kodis, Gerdenis ; Jursenas, S. ; Valkunas, L. ; Gruodis, A. ; Mialocq, J. C. ; Pommeret, S. ; Gustavsson, T. / Charge transfer induced excited state twisting of N,N-dimethylaminobenzylidene-1,3-indandione in solution. In: Journal of Physical Chemistry A. 1999 ; Vol. 103, No. 20. pp. 3969-3980.
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