Influence of chlorine substitution on intramolecular hydrogen bond energy and ESIPT barrier: Experimental and theoretical measurements on the photophysics of 3,5-dichlorosalicylic acid

Journal of Molecular Structure

Volumn 977, Issue 1-3, 2010, Pages 78-89

  Paul, Bijan Kumar ^a   Samanta, Anuva ^a   Guchhait, Nikhil ^a  

^a UNIVERSITY OF CALCUTTA   (India)

Author keywords

3,5 Dichlorosalicylic acid; Absorption; DFT; Emission; ESIPT; Pharmaceutical drug

Indexed keywords

3,5-DICHLOROSALICYLIC ACID; AB - INITIO HARTREE-FOCK; AROMATIC BENZENE; CHLORINE ATOM; DENSITY FUNCTIONAL THEORY METHODS; DFT; ELECTRON-DONATING; ELECTRONWITHDRAWING; EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER; EXCITED-STATE PROTON TRANSFER; EXPERIMENTAL EVIDENCE; INTRAMOLECULAR HYDROGEN BOND; INTRAMOLECULAR PROTON TRANSFER; PARENT MOLECULES; PHARMACEUTICAL DRUGS; PHOTOPHYSICS; QUANTUM CHEMICAL CALCULATIONS; RESONANCE EFFECT; SALICYLIC ACIDS; SOLVENT POLARITY; SPECTRAL SIGNATURE; SPECTROSCOPIC SIGNATURES; STEADY-STATE ABSORPTION; STOKES-SHIFTED EMISSION; TIME-RESOLVED FLUORESCENCE SPECTROSCOPY;

ABSORPTION; ACIDS; ATOMIC SPECTROSCOPY; BENZENE; CHLORINE; DENSITY FUNCTIONAL THEORY; EXCITED STATES; FLUORESCENCE SPECTROSCOPY; HYDROFLUORIC ACID; HYDROGEN; HYDROGEN BONDS; PROTON TRANSFER; QUANTUM CHEMISTRY; SOLVENTS;

ABSORPTION SPECTROSCOPY;

EID: 77955569720     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.05.018     Document Type: Article

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