| |
| International Journal of Life science and Pharma Research (IJLPR) |
| Life Science | | Volume 2 Issue 2, April - June 2012 Pages:139-149 | Analysis Of Two Fluorescent Molecules Properties Using Solvatochromic Shift Method N.R. Patil, R. M. Melavanki, B. M. Chougala, L.A. Shastri And F MSanningannavar
| | [View PDF] | | DOI: DOI not available | | Abstract:The absorption and emission spectra of two fluorescent coumarins molecules coumarins namely 5BAMC and 4DHMC have been recorded at room temperature in solvents of different polarities. The ground state dipole moments (g) of two coumarins were determined experimentally by Guggenheim method. The exited state (µe) dipole moments were estimated from Lippert's, Bakhshiev's and KawskiChamma-Viallet's equations using the variation of Stoke's shift with the solvent dielectric constant and refractive index. The geometry of the molecule was fully optimized and the µg were also calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. Further, Δµ were calculated both from solvatochromic shift method on the basis of microscopic solvent polarity parameter (ETN) and the values are compared. The µg and µe were calculated by means of solvatochromic shift method and µe was determined in combination with µg. It was observed that µe were higher than those of the µg, indicating a substantial redistribution of the π-electron densities in a more polar excited state for two coumarins | | Keywords: Solvatochromic shift method, ground state and excited state dipole moments, coumarins and DFT. |
|
|
|
|
|
