Solvatochromic behavior of substituted 4-(nitrostyryl)phenolate dyes in pure solvents and in binary solvent mixtures composed of water and alcohols

Stock, Rafaela I.; Sandri, Crislaine; Rezende, Marcos Caroli; Machado, Vanderlei G.

doi:10.1016/j.molliq.2018.05.042

Cited by 18 publications

(8 citation statements)

References 45 publications

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“…We have previously warned against the uncritical view that validates a model and its postulates by the good fittings obtained from the derived equations. 11 , 12 In line with this warning, we have deliberately employed in this work eq 1 to fit experimental data. It is derived from a solvent-exchange model for preferential solvation in binary mixtures, 14 − 17 with assumptions that clearly do not apply to composition-dependent thermodynamic properties of these mixtures.…”

Section: Resultsmentioning

confidence: 99%

“…To our knowledge, this is the first time that a nonideality index is used in chemistry, to compare the nonideal behavior of related systems. Its use as a preferential-solvation index (PSI) has been described by us recently, − in the study of the unequal distributions of solvating molecules around a probe in binary mixtures. The analogy between the PSI and the Gini coefficient has also been stressed by us in one of these articles …”

Section: Resultsmentioning

confidence: 99%

“…We have previously been concerned with the phenomenon of preferential solvation (PS) of solvatochromic probes in binary mixtures, deduced from measurements of the medium polarity with the variation of their composition. − …”

Section: Introductionmentioning

confidence: 99%

“…The difficulties in translating such models and of demonstrating through simulations and theoretical calculations the existence and effects of putative solvating species led us to propose a preferential-solvation index (PSI) to compare and analyze this phenomenon in related systems. The index has found applications in the study of PS in solvent mixtures comprising conventional organic solvents , and electrolyte solutions …”

Section: Introductionmentioning

confidence: 99%

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Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

et al. 2021

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Two parameters are introduced, a nonideality index (NII) and a nonideality area (NIA), for the analysis of the variations of thermodynamic properties of binary mixtures. Their calculation is based, for the NII, on experimental plots of the variation of a given property (density, refractive index, viscosity, etc.), and for the NIA, on experimental plots of its excess value (excess enthalpies, molar volumes, viscosities, refractive indices, isentropic compressibilities, etc.) with the mixture composition. Both nonideality parameters are therefore not based on any theoretical model or on its derived parameters, being applicable with any fitting equation. The NII or NIA values for a thermodynamic property of a series of related binary mixtures reveal interesting trends, which are not evident in most analyses of such systems. Besides their predictive value, these trends provide information on the relevance of solvent characteristics of the binary mixture, thus supporting new insights or interpretations of the experimental data.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

et al. 2021

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“…Протягом останніх 40 років в дослідженні сольватохромних явищ перевага віддавалася класичному сольватохромному барвнику Райхардта (N-феноксіпиридинієвому бетаїну, 2,6-дифеніл-4-(2,4,6-трифенілпіридиній-1-іл) фенолят -далі Ind 1) або його похідним [1] та інших дослідників [2][3][4][5][6][7][8][9]. Використання інших сольватохромних барвників носило епізодичний характер.…”

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Peculiarities of solvatochromism of 4-[[(2,4-dinitrophenyl)methylene]imino-2,6-diphenyl]phenol and Reichardt’s dye. DFT calculations

Serhieieva,

Zakharov,

Kiyko

2022

Chemical Series

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One of the current directions of development of modern physical chemistry is the working out of sensor devices and molecular probes for the study of various properties of solutions, colloidal systems and biological objects. The latter include solvatochromic dyes, which, thanks to Reichardt's classic works, have found wide application for quantitative assessment of the solvating ability of individual and, to a lesser extent, mixed solvents of various nature. The different behavior of Reichardt and 4-[[(2,4-dinitrophenyl)methylene]imino-2,6-diphenyl]phenol dyes in pure water and mixed water-organic solvents, when their composition is changed, indicates that their electronic structure undergoes a fundamental change during the transition from the ground state to the first excited state. The aim of the work was to study and compare the HOMO and LUMO structure of the standard Reichardt betaine dye and the 4-[[(2,4-dinitrophenyl)methylene]imino-2,6-diphenyl]phenol dye using the stationary and time-dependent density functional theory (DFT). It is proved that the 4-[[(2,4-dinitrophenyl)methylene]imino-2,6-diphenyl]phenol dye has two active exchangeable solvation centers and therefore has an excellent solvation mechanism, at least in aqueous solution, compared to Reichardt dye, which should appear upon its solvation also in mixed water-organic solvents with a high water content in them.

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Hydroalcoholic mixtures: the effect of the solvent on the electronic spectrum of the indicator methyl orange

et al. 2021

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Solvatochromic behavior of substituted 4-(nitrostyryl)phenolate dyes in pure solvents and in binary solvent mixtures composed of water and alcohols

Cited by 18 publications

References 45 publications

Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

Peculiarities of solvatochromism of 4-[[(2,4-dinitrophenyl)methylene]imino-2,6-diphenyl]phenol and Reichardt’s dye. DFT calculations

Hydroalcoholic mixtures: the effect of the solvent on the electronic spectrum of the indicator methyl orange

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