Spectroscopic and ab initio study of an intramolecular charge transfer (ICT) rhodanine derivative

The steady state absorption and emission studies of the rhodanine derivative 5-( p-dimethylaminobenzylidene) rhodanine (PDR) have been investigated. A dual fluorescence associated with an intramolecular charge transfer (ICT) phenomenon is reported. The characteristic emission band at low temperature...

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Bibliographic Details
Published inJournal of molecular structure Vol. 874; no. 1; pp. 121 - 127
Main Authors Ray, Jayanta, Panja, Nabamita, Nandi, Prasanta K., Martin, Justin J., Jones, Wayne E.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 28.02.2008
Subjects
Dual-fluorescence
Intramolecular charge transfer
Non-linear optical property
Rhodanine
Rhodanine
Non-linear optical property
Dual-fluorescence
Intramolecular charge transfer
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Summary:The steady state absorption and emission studies of the rhodanine derivative 5-( p-dimethylaminobenzylidene) rhodanine (PDR) have been investigated. A dual fluorescence associated with an intramolecular charge transfer (ICT) phenomenon is reported. The characteristic emission band at low temperature (77 K) has also been reported. In support of the experimental results ab initio SCF and DFT calculations have been performed. The theoretical calculations also indicate that the chosen compound has significant non-linear optical (NLO) properties.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2007.03.044