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dc.contributor.authorSiddlingeshwar B
dc.contributor.authorHanagodimath S.M.
dc.date.accessioned2020-06-12T15:04:15Z-
dc.date.available2020-06-12T15:04:15Z-
dc.date.issued2010
dc.identifier.citationSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , Vol. 75 , 4 , p. 1203 - 1210en_US
dc.identifier.uri10.1016/j.saa.2009.12.007
dc.identifier.urihttp://gukir.inflibnet.ac.in:8080/jspui/handle/123456789/4589-
dc.description.abstractThe both, ground-state (?g) and the excited-state (?e) dipole moments of three 1,4-disubstituted anthraquinones, namely 1,4-diaminoanthracene-9,10-dione (1,4-DAAQ), 1-amino-4-hydroxyanthracene-9,10-dione (1,4-AHAQ), and 1,4-dihydroxyanthracene-9,10-dione (1,4-DHAQ) were estimated in binary solvent mixtures (methylcyclohexane-ethyl acetate and ethyl acetate-acetonitrile). The dipole moments (?g and ?e) were estimated from Lippert-Mataga, Bakhshiev, Kawski-Chamma-Viallet, McRae, and Suppan equations by using the variation of Stokes shift with the solvent's relative permittivity and refractive index. The ground-state dipole moments were also calculated theoretically by Gaussian 03 software using B3LYP/6-31 G* level of theory. Further, the change in dipole moment values ?? were also calculated by using the variation of Stokes shift with the molecular-microscopic empirical solvent polarity parameter (ETN). The excited-state dipole moments observed are larger than their ground-state counterparts, indicating a substantial redistribution of the ?-electron densities in a more polar excited state for all the molecules investigated. © 2009 Elsevier B.V. All rights reserved.en_US
dc.subjectDisubstituted anthraquinones
dc.subjectETN parameter
dc.subjectGaussian
dc.subjectGround- and excited-state dipole moments
dc.subjectSolvatochromic method
dc.subjectStokes shift
dc.titleEstimation of the ground and the first excited singlet-state dipole moments of 1,4-disubstituted anthraquinone dyes by the solvatochromic methoden_US
dc.typeArticle
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