Solvent and Structural Effects on the UV–Vis Absorption Spectra of Some 4,6-Disubstituted-3-Cyano-2-Pyridones

Alimmari, Adel S.; Božić, Bojan; Marinković, Aleksandar D.; Mijin, Dušan Ž.; Ušćumlić, Gordana S.

doi:10.1007/s10953-012-9897-1

Cited by 15 publications

(10 citation statements)

References 16 publications

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“…Specific solute-solvent interactions were subdivided into solvent Lewis-basicity interactions (hydrogen bond donor (HBD) solute/ /(hydrogen bond acceptor (HBA) solvents) and solvent Lewis acidity interactions (hydrogen bond acceptor (HBA) solute/(hydrogen bond donor (HBD) solvents). Thus, the following multiparameter equation was suggested for application in linear solvation energy relationships (LSER): [26][27][28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43][44] LSER have been used in various fields, such as, ionic liquids, solubility, thermochemistry, NMR chemical shifts, pharmaceuticals, etc. Equation (10) has been used in the correlation analysis by multiple regression of numerous reaction rates and equilibria, spectroscopic data and various other solvent dependent processes.…”

Section: Application Of the Kat Model For The Study Of The Solvent Efmentioning

confidence: 99%

Complexation of molybdenum(VI) with methyliminodiacetic acid in different water + methanol solutions

Zeighaminezhad

Majlesi

2016

JSCS

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The complexation of molybdenum(VI) with methyliminodiacetic acid (MIDA) at pH 6.00, T = 298 K, I = 0.1 mol dm-3 of sodium chloride and different water + methanol solutions (0-45 vol. %) was studied using potentiometric and UV spectrophotometric measurements. The values of the stability constants were calculated and their trends interpreted using the Kamlet-Abboud-Taft (KAT) model in order to investigate the role of different specific and non-specific interactions in aqueous solutions of methanol.

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Section: Application Of the Kat Model For The Study Of The Solvent Efmentioning

confidence: 99%

Complexation of molybdenum(VI) with methyliminodiacetic acid in different water + methanol solutions

Zeighaminezhad

Majlesi

2016

JSCS

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“…Interactions that the compound makes with its surroundings are very similar to those that it can establish with mobile and stationary phases during chromatographic analysis and also that can be registered in the ultraviolet spectrophotometric measurement in the presence of different type of solvents. Therefore, methods most frequently applied for this purpose are chromatographic methods and ultraviolet spectroscopy .…”

Section: Introductionmentioning

confidence: 99%

Structure‐interaction relationship study of N‐(4‐phenylsubstituted) cyanoacetamides by multivariate methods

Vastag

Apostolov

Matijević

et al. 2015

Journal of Chemometrics

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Derivatives of amides belong to a very attractive group of compounds due to a broad spectrum of different biological activities. The type of molecule activity significantly depends on its interactions with the environment, which on the other hand largely depends on the nature of the substituent attached to the basic molecule as well as of solvents properties. In this work, the influence of the mentioned parameters on the interaction ability of the group of N-(4-phenylsubstituted) cyanoacetamides is investigated by using multivariate methods, based on the results obtained by reverse-phase thin-layer chromatography and ultraviolet absorption spectroscopy. Results obtained by the used chemometrics methods are very similar, within which the principal component analysis has provided the most detailed information. The obtained results suggest that the interactions of the investigated compounds are dominantly regulated by the polarity of the used solvents and their proton donor ability inside the chromatographic measurements, while in the case of the spectrophotometric data, the solvent's hydrogen bond ability has the greatest impact on the future interaction capability of the investigated cyanoacetamides. In the case of the substituent effect which is attached to the benzene ring, the greatest impact on the future interaction ability of the investigated cyanoacetamides is the orientation effect of ring substituent. Based on all the obtained results, it can be noticed that the used multivariate methods are able to detect effects of the substituent and solvent properties on the future interaction ability of the investigated derivatives.

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“…Knowledge of the nature of these interactions is fundamental to the comprehension of the type and intensity of compound activity. The types of methods applied most frequently for this purpose include UV-, Fourier transform-infrared (FT-IR)-, 1 Hand 13 C NMR-spectroscopy as well as density functional theory (DFT) calculations [21][22][23].…”

Section: Introductionmentioning

confidence: 99%

Computational and spectroscopic data correlation study of N,N'-bisarylmalonamides (Part II)

Arsovski¹,

Božić

Mirković

et al. 2015

J Mol Model

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To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data ((1)H and (13)C NMR chemical shifts as well as FT-IR absorption frequency) applied to N,N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N,N'-bisarylmalonamides are prominent candidates for model molecules.

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Solvent and Structural Effects on the UV–Vis Absorption Spectra of Some 4,6-Disubstituted-3-Cyano-2-Pyridones

Cited by 15 publications

References 16 publications

Complexation of molybdenum(VI) with methyliminodiacetic acid in different water + methanol solutions

Complexation of molybdenum(VI) with methyliminodiacetic acid in different water + methanol solutions

Structure‐interaction relationship study of N‐(4‐phenylsubstituted) cyanoacetamides by multivariate methods

Computational and spectroscopic data correlation study of N,N'-bisarylmalonamides (Part II)

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