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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.
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页码:2170 / 2179
页数:10
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