Photophysical study of 6-amino-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile and estimation of ground-state and singlet excited-state dipole moments by solvatochromic approaches
- Title
- Photophysical study of 6-amino-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile and estimation of ground-state and singlet excited-state dipole moments by solvatochromic approaches
- Creator
- Kumari R.; Varghese A.; George L.; K.B. A.
- Description
- 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 LippertMataga 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 ?- 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. 2016 Elsevier B.V.
- Source
- Journal of Molecular Liquids, Vol-222, pp. 828-835.
- Date
- 2016-01-01
- Publisher
- Elsevier B.V.
- Subject
- Dipole moment; Intra-molecular charge transfer; Solvatochromic method; Stokes shift ETN
- Coverage
- Kumari R., Department of Chemistry, Christ University, Bangalore, 560 029, India; Varghese A., Department of Chemistry, Christ University, Bangalore, 560 029, India; George L., Department of Chemistry, Christ University, Bangalore, 560 029, India; K.B. A., Department of Chemistry, Christ University, Bangalore, 560 029, India
- Rights
- Restricted Access
- Relation
- ISSN: 1677322; CODEN: JMLID
- Format
- Online
- Language
- English
- Type
- Article
Collection
Citation
Kumari R.; Varghese A.; George L.; K.B. A., “Photophysical study of 6-amino-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile and estimation of ground-state and singlet excited-state dipole moments by solvatochromic approaches,” CHRIST (Deemed To Be University) Institutional Repository, accessed February 22, 2025, https://archives.christuniversity.in/items/show/17157.