Studies on photophysical properties of mono-carbonyl curcumin analogues: Experimental andtheoretical approach
subject: 2; 6 dibenzylidenecyclohexanone(DBCH); 6-bis(4 chlorobenzylidene) cyclohexanone(CBCH) and 2; Dipole moment; HOMO/LUMO energies; Keyword: Curcumin; TD-DFT
description: The solvatochromic fluorescence behaviour of mono-carbonyl curcumin analogues has been studied in ten different solvents ranging from non-polar to polar. The solvent effect on the spectral properties of analogues has been discussed. The ground state dipole moments were estimated experimentally by Bilot-Kawski equation which is a function of Stokes shift with the solvent polarity parameters and Guggenheim method and theoretically by TD-DFT studies. The excited state dipole moment was determined using Bilot-Kawski equations. The excited state dipole moments for the two molecules were found to be higher than their corresponding ground state dipole moments. Theoretically Frontier molecular orbital (HOMO/ LUMO) energies were determined by Gaussian 09 W software using TD-DFT. 2018 Oriental Scientific Publishing Company. All rights reserved.
creator: Rayanal M.; Pujar P.P.; Sridhar D.
source: Oriental Journal of Chemistry, Vol-34, No. 4, pp. 2170-2179.
publisher: Oriental Scientific Publishing Company
date: 2018-01-01
rights: All Open Access; Gold Open Access; Green Open Access
relation: ISSN: 0970020X; CODEN: OJCHE
format: Online
language: English
type: Article
coverage: Rayanal M., Department of Chemistry, Christ (Deemed to be University), Bengaluru, 560 029, India; Pujar P.P., Department of Chemistry, Christ (Deemed to be University), Bengaluru, 560 029, India; Sridhar D., Department of Chemistry, Christ (Deemed to be University), Bengaluru, 560 029, India