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Spectroscopic and theoretical evidence for the photoinduced twisted intramolecular charge transfer state formation in N,N-dimethylaminonaphthyl-(acrylo)-nitrile
R B SINGH, S MAHANTA, S KAR,
Published in ELSEVIER SCIENCE BV
2008
Volume: 128
   
Issue: 9
Pages: 1421 - 1430
Abstract
The phenomenon of excited state twisted intramolecular charge transfer (TICT) process in N,N-dimethylaminonaphthyl-(acrylo)-nitrile (DMANAN) has been reported on the basis of steady-state absorption and fluorescence spectroscopy in combination with quantum chemical calculations. The absorption and fluorescence characteristics of DMANAN in solvents of different polarity reveal the presence of a single species in the ground state which forms the intramolecular charge transfer state upon photoexcitation. The observed dual fluorescence is assigned to a high-energy emission from the locally excited or the Franck-Condon state and the red-shifted emission from the charge transfer (CT) state. In polar protic solvents, hydrogen-bonding interaction on CT emission has been established from the linear dependency of the position of the low-energy emission maxima on hydrogen-bonding parameter (α). The experimental findings have been correlated with the theoretical results based on TICT model obtained at density functional theory (DFT) level. The theoretical potential energy surface for the first excited state along both the donor and acceptor twist coordinates in the gas phase obtained by time dependent density functional theory (TDDFT) method and in polar solvent by time dependent density functional theory-polarized continuum model (TDDFT-PCM) method predicts well the experimental spectral properties. © 2008.
About the journal
JournalData powered by TypesetJournal of Luminescence
PublisherData powered by TypesetELSEVIER SCIENCE BV
ISSN0022-2313
Open AccessNo