Solvents effect on the absorption and fluorescence spectra of 7-diethylamino-3-thenoylcoumarin: Evaluation and correlation between solvatochromism and solvent polarity parameters

Author(s):  
Jana Basavaraja ◽  
S.R. Inamdar ◽  
H.M. Suresh Kumar
2021 ◽  
Vol 2063 (1) ◽  
pp. 012025
Author(s):  
Roza Al-Aqar

Abstract The compound of (4-hydroxy-3-nitro-1,8-naphthalic anhydride) and the dopant material (4-hydroxy-m-benzene-disulfonic acid) were synthesized. The UV-Vis absorption and fluorescence spectra of the compound were recorded. The bathochromic shifts in absorption due to the changes in the solvent polarity was observed, in DMSO solvent, the compound shows different peaks, three bands in the UV region and one band in the visible region, one absorption peak at 402 nm, which might be attributed to the (ICT) band. The emission spectra of this compound were sensitive to the solvent polarity. They moved to lower energies with increasing the polarity of the solvent. The influence of the solvent polarity on the fluorescence maximum was more pronounced compared with the absorption maximum, showing ca. 3 nm red shift on moving from butanol to DMSO. The effect of the dopant material on the conductivities (ionic and specific) of the compound was studied, the ionic conductivity was increased as the weight of the dopant material increases, and the ionic conductivity (G) was measured in water as a solvent. the (G) of the compound was 2.4X10-6 Siemens at 0.01 gm of the dopant material, and was 2.62X10-4 Siemens after the dopant material was added (0.1 gm).


2019 ◽  
Vol 12 (24) ◽  
pp. 1-9
Author(s):  
Asmaa N. Ahmed

been taken at room temperature down to liquid nitrogen temperature (77K). Polar and nonpolar solvents have been used to study the solvent effect on the absorption and fluorescence spectra of solute molecules. Some of the spectroscopic parameters have been determined as functions of solvent polarity and temperature. The results indicate that the band width FWHM increases with increasing the solvent polarity and temperature, while the peak emission cross section decreases with increasing of solvent polarity and decreases with increasing the temperatures. Clear vibrational structure spectra of benzoanthracene molecules have been observed in Nonane and Hexane solvents at 77K.


2008 ◽  
Vol 55 ◽  
pp. 36-41 ◽  
Author(s):  
Volker Schmitt ◽  
Stefan Glang ◽  
Jasmin Preis ◽  
Heiner Detert

Fluorescent dyes with a high sensitivity of their optical spectra towards changes of the environment were prepared via aldol condensation or Horner olefinations. The main chromophore is a quadrupolar N-substituted 1,4-distyrylbenzene which allows protonation and complexation at various positions resulting in a series of different and significant changes of the optical spectra. The sensitivity of the absorption and emission spectra on solvent polarity, acid, and cations is reported.


Author(s):  
Ayşegül Gümüş ◽  
Yadigar Gülseven Sıdır ◽  
İsa Sıdır ◽  
Selçuk Gümüş

Quinolin-8-yl-2-hydroxybenzoate (abbreviated as QHB) was synthesized and investigated both experimentally and theoretically to obtain its physical and electronic properties. The electronic structure and spectral behavior have been determined by using UV-vis absorption and fluorescence spectra in different 11 polarity solvent medium. The absorption band observed at 306 nm-308 nm is found to having mix of π-π* and n-π* electronic transitions due to its geometrical structure in the solution phase. Solvatochromism of QHB is investigated by using Kamlet-Taft and Catalan methods based on the linear solvation energy relationships (LSER). Kamlet-Taft solvatochromic model indicates that spectral shifts of absorption and fluorescence spectra are effectively controlled by dispersion-polarization forces which describe the non-specific interactions. Solvatochromic model of Catalan designates that solute-solvent interaction is governed by solvent polarity in the absorption spectra and by solvent acidity in the fluorescence spectra. Non-specific interactions have greater effect on fluorescence spectra compared to absorption spectra. Computational calculations were performed by the application of B3LYP/6-311+(d,p) level of theory. Conformational analysis is performed for QHB and five staggered conformers are observed on torsional potential energy surfaces. Accordingly, the most stable conformer is found as involving intra-molecular hydrogen bonding. The geometry of the other conformers indicates that the absence of hydrogen bonding gives rise to relatively higher energy.  Frontier molecular orbitals (HOMO, LUMO) and non-linear optical (NLO) parameters have been calculated by B3LYP/6-311+(d,p) level of theory. Theoretical UV spectra both in gas and solution phases have also been investigated by TDDFT-CAM-B3LYP/6-311+(d,p) level of theory.


2002 ◽  
Vol 57 (5) ◽  
pp. 255-262 ◽  
Author(s):  
A. Kawski

The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μe in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μe, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m1 and m2. Also the effect of α/a3 (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a3 = 1/2 is valid in many cases.


2006 ◽  
Vol 2006 ◽  
pp. 1-6 ◽  
Author(s):  
M. N. Khimich ◽  
B. M. Uzhinov

The absorption and fluorescence spectra, fluorescence quantum yields and lifetimes, and fluorescence rate constants (kf) of 2-amino-3-(2′-benzoxazolyl)quinoline (I), 2-amino-3-(2′-benzothiazolyl)quinoline (II), 2-amino-3-(2′-methoxybenzothiazolyl)-quinoline (III), 2-amino-3-(2′-benzothiazolyl)benzoquinoline (IV) at different temperatures have been measured. The shortwavelength shift of fluorescence spectra of compounds studied (23–49 nm in ethanol) as the temperature decreases (the solvent viscosity increases) points out that the excited-state relaxation process takes place. The rate of this process depends essentially on the solvent viscosity, but not the solvent polarity. The essential increasing of fluorescence rate constantkf(up to about 7 times) as the solvent viscosity increases proves the existence of excited-state structural relaxation consisting in the mutual internal rotation of molecular fragments of aminoquinolines studied, followed by the solvent orientational relaxation.


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