Studies on Photophysical Properties of Mono-carbonyl Curcumin Analogues: Experimental and Theoretical approach

被引:2
|
作者
Rayanal, Manjula [1 ]
Pujar, Prasad Pralhad [1 ]
Sridhar, D. [1 ]
机构
[1] Christ Deemed Be Univ, Dept Chem, Bengaluru 560029, Karnataka, India
关键词
Curcumin; Dipole moment; TD-DFT; HOMO/LUMO energies; 2,6-bis(4 chlorobenzylidene)cyclohexanone(CBCH) and 2,6 dibenzylidenecyclohexanone(DBCH);
D O I
10.13005/ojc/3404059
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:2170 / 2179
页数:10
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