International Journal of Life science and Pharma Reviews (IJLPR)  
   
 
International Journal of Life science and Pharma Research (IJLPR)
Life Science
Volume 4 Issue 1, January - March 2014    Pages:11-20
SPECTROSCOPIC PROPERTIES AND ESTIMATION OF GROUND AND EXCITED STATE DIPOLE MOMENTS OF BIOLOGICALLY ACTIVE FLUORESCENT MOLECULE FROM ABSORPTION AND EMISSION SPECTRA

SHIVARAM N. PATIL, F.M. SANNINGANNAVAR, B.S NAVATI, N.R. PATIL, R.A. KUSANUR AND R.M. MELAVANKI*
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DOI: DOI not available
Abstract:
The absorption and emission spectra of fluorescent molecule namely 6-Methyl-3-[1-(4, 5-dicarbomethoxy-1, 2, 3-triazoloacetyl)] coumarin (6MDTC) has been recorded at room temperature in solvents of different polarities. The exited state (me) dipole moment was estimated from Lippert's, Bakhshiev's and Kawski-Chamma-Viallet's equations using the variation of Stoke's shift with the solvents of different polarities using dielectric constant and refractive index. The geometry of the molecule was fully optimized and the ground state dipole moment (mg) was also calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. The mg and me were calculated by solvatochromic shift method and me was also determined in combination with mg. It was observed that me was greater than that of the mg, indicating a substantial redistribution of the π-electron densities in a more polar excited state for this coumarin. Further, the changes in dipole moment (Δμ) was calculated both from solvatochromic shift method and on the basis of microscopic empirical solvent polarity ( ETN) and the values are compared.
Keywords: Solvatochromic shift method, ground state and excited state dipole moments, 6MDTC and DFT.
 
 
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