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• W1980793888 abstract "The effect of solvents on absorption and fluorescence spectra and dipole moments of novel benzanthrone derivatives such as 3-N-(N′,N′-Dimethylformamidino) benzanthrone (1), 3-N-(N′,N′-Diethylacetamidino) benzanthrone (2) and 3-morpholinobenzanthrone (3) have been studied in various solvents. The fluorescence lifetime of the dyes (1–3) in chloroform were also recorded. Bathochromic shift observed in the absorption and fluorescence spectra of these molecules with increasing solvent polarity indicates that the transitions involved are π→π⁎. Using the theory of solvatochromism, the difference in the excited-state (μe) and the ground-state (μe) dipole moments was estimated from Lippert–Mataga, Bakhshiev, Kawski–Chamma–Viallet, and McRae equations by using the variation of Stokes shift with the solvent’s relative permittivity and refractive index. AM1 and PM6 semiempirical molecular calculations using MOPAC and ab-initio calculations at B3LYP/6-31 G⁎ level of theory using Gaussian 03 software were carried out to estimate the ground-state dipole moments and some other physicochemical properties. Further, the change in dipole moment value (Δμ) was 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 π-electron densities in a more polar excited state for all the systems investigated." @default.
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• W1980793888 date "2011-02-01" @default.
• W1980793888 modified "2023-10-16" @default.
• W1980793888 title "Photophysical characteristics of three novel benzanthrone derivatives: Experimental and theoretical estimation of dipole moments" @default.
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• W1980793888 doi "https://doi.org/10.1016/j.jqsrt.2010.09.001" @default.
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