Exploring excited state properties of 7-hydroxy and 7-methoxy 4-methycoumarin: a combined time-dependent density functional theory/effective fragment potential study
Author:
Affiliation:
1. PG Department of Physics
2. Government College, (Autonomous)
3. Mandya 571401
4. India
Abstract
Hydrogen bond dynamics, C–OH bond contracting, O–H bond stretching and O–H⋯O HB strengthening reveal the ESHT in 4MU at the S1state.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2016/NJ/C5NJ02917A
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3. Solution photophysics of 1- and 3-aminofluorenone: the role of inter- and intramolecular hydrogen bonding in radiationless deactivation
4. Hydrogen-Bond Dynamics in the Excited State of Coumarin 102−Aniline Hydrogen-Bonded Complex
5. Ultrafast Structural Response of Hydrogen Bonded Complexes to Electronic Excitation in the Liquid Phase
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