Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F16%3A00468730" target="_blank" >RIV/61388971:_____/16:00468730 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60076658:12310/16:43890780

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.molliq.2016.07.036" target="_blank" >http://dx.doi.org/10.1016/j.molliq.2016.07.036</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molliq.2016.07.036" target="_blank" >10.1016/j.molliq.2016.07.036</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO

Popis výsledku v původním jazyce

Binary mixtures of solvents are widely used in chemical processes in order to tune the polarity properties of the media and to facilitate chemical and physical processes. In this study, deep eutectic solvents (DESs) were considered as new green media for chemical processes. Solvatochromic behavior was investigated at 25 degrees C over the whole range of mole fractions of binary mixtures of dimethyl sulfoxide with urea-choline chloride (reline), ethylene glycol-choline chloride (ethaline), and glycerol-choline chloride (glyceline) with as common DESs. In these DESs the molar ratio of choline chloride to urea, ethylene glycol and glycerol is 1:2. Results showed that the polarity and hydrogen bond donor ability of the DESs decreases with increasing mole fraction of dimethyl sulfoxide as a molecular solvent, while hydrogen bond acceptor ability of the media increases with mole fraction of DMSO. Deviation from ideal behavior, observed for solvatochromic parameters, confirmed preferential solvation of the solutes in these media. On the other hand, molecular dynamic simulations and quantum mechanics calculations concluded interaction energies between DES components and showed clearly different compositions in the salvation shells of the solutes in the solvent mixtures.

Název v anglickém jazyce

Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO

Popis výsledku anglicky

Binary mixtures of solvents are widely used in chemical processes in order to tune the polarity properties of the media and to facilitate chemical and physical processes. In this study, deep eutectic solvents (DESs) were considered as new green media for chemical processes. Solvatochromic behavior was investigated at 25 degrees C over the whole range of mole fractions of binary mixtures of dimethyl sulfoxide with urea-choline chloride (reline), ethylene glycol-choline chloride (ethaline), and glycerol-choline chloride (glyceline) with as common DESs. In these DESs the molar ratio of choline chloride to urea, ethylene glycol and glycerol is 1:2. Results showed that the polarity and hydrogen bond donor ability of the DESs decreases with increasing mole fraction of dimethyl sulfoxide as a molecular solvent, while hydrogen bond acceptor ability of the media increases with mole fraction of DMSO. Deviation from ideal behavior, observed for solvatochromic parameters, confirmed preferential solvation of the solutes in these media. On the other hand, molecular dynamic simulations and quantum mechanics calculations concluded interaction energies between DES components and showed clearly different compositions in the salvation shells of the solutes in the solvent mixtures.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

EE - Mikrobiologie, virologie

OECD FORD obor

—

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

—

Svazek periodika

22

Číslo periodika v rámci svazku

OCT 2016

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

845-853

Kód UT WoS článku

000384784400104

EID výsledku v databázi Scopus

2-s2.0-84979879916