Changes induced by solvent polarity in electronic absorption spectra of some nucleic acid constituents

Masoud, Mamdouh S.; Hindawy, Ahmed M.; Soayed, Amina A.; El-Kaway, Marwa Y. Abd

doi:10.1016/j.fluid.2011.08.028

Cited by 9 publications

(3 citation statements)

References 30 publications

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“…Multiple regression analysis techniques was executed for every situation using Origin 8.5 software. The fits are procured as an element of 1, 2, 3 or 4 of this constant [18][19][20][21]. The findings are recorded in Tables 3 and 4.…”

Section: Methodsmentioning

confidence: 99%

Solvatochromism of Quinoline-390 and Rhodamine-800: Multiple Linear Regression and Computational Approaches

Kumar¹,

Nadaf²,

Renuka³

2018

Asian J. Chem.

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The electronic absorption and emission spectra of laser dyes quinoline-390 and rhodamine-800 in distinct organic solvents have been analyzed to understand conventional interactions of solvents on the intensities, peak positions of both absorption and emission spectrum. The relationship between absorption spectrum (λmax) and solvatochromic constants (ε, n, E) indicates that the peak positions are fundamentally influenced by non-specific and specific kind of interactions between the solute and solvent. Solvent effects on the electronic absorption band shift are characteristics of the degree of charge rearrangement of the solute molecules upon electronic excitation. These spectral shifts reflect the effect of the equilibrium solvents association across the energized solute particle, which adjusts inertially as a result of quick charge realignment upon radiative deactivation to the lowest electronic state. Spectral regression study techniques were carried out for the qualitative chemical analyses of these compounds, which provides an opportunity to assess electrical-optical molecular constants within the excited electronic conditions. Further TD-DFT computational techniques for optimized geometry, electronic structure and Mulliken charge distribution in vacuum and ethanol solvent were carried out to acquire additional knowledge of the molecular arrangement and electronic properties of these laser dyes.

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Section: Methodsmentioning

confidence: 99%

Solvatochromism of Quinoline-390 and Rhodamine-800: Multiple Linear Regression and Computational Approaches

Kumar¹,

Nadaf²,

Renuka³

2018

Asian J. Chem.

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“…The parameter (K) plays an important role in determining the spectral shifts for [Ni(MOR)4Cl2]•4H2O at wavelength region y1 (MCC= 0.924, P = 0.001) and [CuNi(MOR)2Cl4]•4H2O at wavelength region y2 (MCC =0.907, P = 0.001) this points to the fact that the dielectric constant is effective in explaining the spectral shifts. Based on the two-parameter equation, the combination of E and M gave higher correlation values for [Fe(MOR)3Cl3]•4H2O at both wavelength regions y1 and y2 (MCC =0.947,0.879, P = 0.003,0.011), [Ni(MOR)4Cl2]•4H2O at wavelength region y2 (MCC = 0.851, P = 0.022) and [Cu(MOR)4 Cl2]•6H2O at wavelength region y2 (MCC = 0.950, P = 0.003), used to explain the spectral shifts occurred in these cases related to the solvent ability to form hydrogen bonds with the solute molecules, which is expressed by the parameter E combined with solute permanent dipole-solvent induced dipole interactions [36].…”

Section: Application Of the Spss Program And Regression Analysismentioning

confidence: 99%

Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes

et al. 2023

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The electronic absorption spectra of morpholine and its five morpholine complexes have been studied in different solvents of various polarities. The regression and correlation coefficients have been calculated with the SPSS program. Solvation energy relationships were deduced from spectral shifts and correlated with solvent parameters α (solvent hydrogen bond donor acidity), β (solvent hydrogen bond acceptor basicity), and π* (dipolarity/polarizability). The percentage contributions of the calculated solvatochromic parameters show that classic solvation effects play a major role in explaining the spectral shifts in all investigated complexes. The blue shift of [Fe(MOR)3Cl3]·4H2O, [Ni(MOR)4Cl2]·4H2O, and [Cu(MOR)4Cl2]·6H2O complexes is due to the formation of hydrogen bonds, which suggests the stabilization of the ground electronic state compared with the excited state. [CuNi(MOR)2Cl4]·4H2O and [CuZn(MOR)3Cl4]·2H2O are mixed metal complexes that suffer a red shift due to the solute-solvent interactions, which causes stabilization of the excited solute state with increasing solvent polarity. The bands are affected by specific solute-solvent interactions including hydrogen bond donor ability (acidity) and hydrogen bond acceptor ability (basicity) and nonspecific solute-solvent interactions including electromagnetic interaction between the dipole moments of solute and polar solvents.

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“…4 This article is part of a continuing investigation of the structural chemistry of biologically active compounds containing nitroso, nitro and azo chromophoric groups. [5][6][7][8][9][10][11] Here, we aimed to throw light on the solvents effect on the absorption spectra of highly coloured indicators (Sudan orange (SO), Alizarin yellow R (AYR), Aurin tricarboxylic acid (ATA), Alizarin yellow GG (AYGG), Titan yellow (TY) and Eriochrome black-T (EBT)) in the visible and UV region where these compounds absorb due to the extensive conjugation of the azo group with the aromatic rings. Solvents are selected to show a wide variety of solvent parameters and hydrogen bonding capacity, to permit a good understanding of the solvent-induced spectral shifts.…”

Section: Introductionmentioning

confidence: 99%

Solvent, substituents and pH effects towards the spectral shifts of some highly colored indicators

2017

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The solvatochromic responses of six indicators namely Sudan orange, Alizarin yellow R, Aurin tricarboxylic acid, Alizarin yellow GG, Titan yellow and Eriochrome black-T, dissolved in seven solvents of different polarities, have been measured at room temperature. The UV/Vis absorption spectral shifts were analyzed by the multiple linear regression analysis and Kamlet-Taft equation. The observed solvatochromism was found to depend on the presence of the donor and acceptor substituents in the conjugated systems of the indicator and the physical properties of the solvent molecules. The pH effects on the wavenumbers of the absorption band maxima of some indicators with different constituents at room temperature were discussed and the mechanism of ionization was explained. The dissociation constants (pK a) of the investigated compounds were precisely assessed and the existence of the individual predominant ionic species was assigned by constructing distribution diagrams at different pH ranges.

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Changes induced by solvent polarity in electronic absorption spectra of some nucleic acid constituents

Cited by 9 publications

References 30 publications

Solvatochromism of Quinoline-390 and Rhodamine-800: Multiple Linear Regression and Computational Approaches

Solvatochromism of Quinoline-390 and Rhodamine-800: Multiple Linear Regression and Computational Approaches

Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes

Solvent, substituents and pH effects towards the spectral shifts of some highly colored indicators

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