Dyes;
Absorption;
Fluorescence;
Dipole moments;
Rose Bengal;
Density functional theory;
STATE DIPOLE-MOMENTS;
PARAMETERS;
SOLVATION;
ENERGY;
APPROXIMATION;
CELLS;
BETA;
D O I:
10.1016/j.saa.2008.08.018
中图分类号:
O433 [光谱学];
学科分类号:
0703 ;
070302 ;
摘要:
The absorption and fluorescence spectra of Rose Bengal dye were studied in various solvents. It was found that solvent effects on the absorption wavelength are consistent with the solvatochromic model of Kamlet, Abboud and Taft. The solvent polarizability value pi* was found to have a linear relationship with the absorption wavelength of the dye in various solvents. Additionally, the normalized transition energy value (ET) showed some scattering when plotted versus Delta nu(af). Density functional calculations were used to assign the absorption in the region 540-570 nrn to a pi-pi* transition between the HOMO and LUMO of the anion. Experimental ground state and excited state dipole moments were calculated by using the solvatochromatic shifts of absorption and fluorescence spectra as a function of the dielectric constant (8) and refractive index (it). The dipole moment for Rose Bengal was found to be 1.72 Debye in the ground state, whereas this value was 2.33 Debye in the excited state. (C) 2008 Elsevier B.V. All rights reserved.
机构:Univ Zagreb, Fac Chem Engn & Technol, Dept Organ Chem, Zagreb 41000, Croatia
Tralic-Kulenovic, V
Racanè, L
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机构:Univ Zagreb, Fac Chem Engn & Technol, Dept Organ Chem, Zagreb 41000, Croatia
Racanè, L
Karminski-Zamola, G
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机构:
Univ Zagreb, Fac Chem Engn & Technol, Dept Organ Chem, Zagreb 41000, CroatiaUniv Zagreb, Fac Chem Engn & Technol, Dept Organ Chem, Zagreb 41000, Croatia