Add time:08/01/2019         Source:sciencedirect.com

An investigation of absorption and fluorescence behaviour of 6-amino-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (NDPPC) at room temperature was carried out using a series of twelve organic solvents with different polarities. Ground and excited state dipole moments were determined experimentally by using Lippert–Mataga polarity function, Bakhshiev solvent polarity parameter, Kawski-Chamma-Viallet solvent polarity parameter, Reichardt's microscopic solvent polarity parameter, Kamlet-Abboud-Taft multiple linear regression and Catalan dipolar polarizibility approach. Due to considerable π- electron density redistribution, the value of excited state dipole moment was found to be greater than that of the ground state. The ground state dipole moment value was determined by quantum chemical method which was used to estimate excited state dipole moment using solvatochromic correlations. Both non-specific solute-solvent interactions and hydrogen bonding interactions were investigated by using Kamlet-Abboud-Taft and Catalan method. TD-DFT (B3LYP/6-311G (d,p)) was used for the determination of HOMO-LUMO energies.

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