Exploring the halogen bond specific solvent effects in halogenated solvent systems by ESR probe

2015 ◽  
Vol 39 (7) ◽  
pp. 5477-5483 ◽  
Author(s):  
Xue Pang ◽  
Wei Jun Jin
Keyword(s):  
Raman Spectroscopy ◽  
Solvent Effect ◽  
Solvent Effects ◽  
Calculation Method ◽  
Esr Spectroscopy ◽  
Halogen Bond ◽  
Crystallographic Study ◽  
Solvent Systems

The halogen bond specific solvent effect was proved by ESR spectroscopy, Raman spectroscopy, crystallographic study and calculation method.

Solute–solvent effects in the dissociation of thymolsulfonephthalein (an uncharged acid) in aqueous mixtures of acetonitrile (ACN), urea, and dimethyl sulfoxide (DMSO)

1986 ◽  
Vol 64 (8) ◽  
pp. 1521-1526 ◽  
Author(s):  
A. L. De ◽  
A. K. Atta
Keyword(s):  
Solvent Effect ◽  
Dimethyl Sulfoxide ◽  
Solvent Effects ◽  
Mixed Solvent ◽  
Dissociation Constants ◽  
Aqueous Mixtures ◽  
Solvent Interactions ◽  
Gibbs Energies ◽  
Gibbs Energies Of Transfer ◽  
Solvent Systems

The thermodynamic first dissociation constants, [Formula: see text] of thymolsulfonephthalein (H2A), an uncharged acid, have been determined at 25 °C in aqueous mixtures of 10, 30, 50, 70, and 80 wt% acetonitrile (ACN), 11.52, 20.31, 29.64, and 36.83 wt% urea, 20, 40, 60, and 80 wt% dimethyl sulfoxide (DMSO) by spectrophotometric measurements. The solvent effect represented by ∂(ΔG0) = 2.303RT[p(sK)N − p(wK)N] is found to increase in ACN + H2O system as mol% ACN increases in the solvent. In contrast, the corresponding values in urea + H2O as well as DMSO + H2O solvent systems decrease with increase in proportion of organic component in the solvent, the decrease being sharp in urea + H2O. The results have been discussed in terms of the standard Gibbs energies of transfer of H+ from water to the mixed solvent, [Formula: see text] and the relative values of the standard Gibbs energies of transfer of HA−, [Formula: see text] and of [Formula: see text] in all the solvent systems. The overall dissociation behaviour of the acid (H2A) is found to be dictated by the specific solute-solvent interactions of the species participating in the dissociation equilibria.

Kinetic Solvent Effects in Organic Reactions

2017 ◽  
Author(s):  
Belinda Slakman ◽  
Richard West
Keyword(s):  
Solvent Effect ◽  
Reaction Kinetics ◽  
Computational Methods ◽  
High Throughput ◽  
Kinetic Modeling ◽  
Solvent Effects ◽  
Reaction Rates ◽  
Prior Work ◽  
Solvent Phase ◽  
High Throughput Manner

<div> <div> <div> <p>This article reviews prior work studying reaction kinetics in solution, with the goal of using this information to improve detailed kinetic modeling in the solvent phase. Both experimental and computational methods for calculating reaction rates in liquids are reviewed. Previous studies, which used such methods to determine solvent effects, are then analyzed based on reaction family. Many of these studies correlate kinetic solvent effect with one or more solvent parameters or properties of reacting species, but it is not always possible, and investigations are usually done on too few reactions and solvents to truly generalize. From these studies, we present suggestions on how best to use data to generalize solvent effects for many different reaction types in a high throughput manner. </p> </div> </div> </div>

Solvent Effects on the IR Spectra of N-Methylacetamide

1981 ◽  
Vol 36 (6) ◽  
pp. 763-764 ◽  
Author(s):  
J. Manzur ◽  
G. González
Keyword(s):  
Ir Spectra ◽  
Solvent Effect ◽  
Solvent Effects ◽  
Mutual Influence ◽  
Frequency Shifts ◽  
Donor And Acceptor ◽  
Two Parameters ◽  
Ir Bands

Abstract The solvent effect on the v(N-H) amide I and amide II IR bands of N-methylacetamide were investigated. The frequency shifts could be related to the solvent donor and acceptor num-bers by mean of a two parameters relationship that accounts for the mutual influence between the two interacting sites of the amide.

scholarly journals Solvent effect and fluorescence response of the 7-tert-butylpyrene-dipicolylamine linkage for the selective and sensitive response toward Zn(ii) and Cd(ii) ions

2015 ◽  
Vol 39 (5) ◽  
pp. 4055-4062 ◽  
Author(s):  
Zannatul Kowser ◽  
Hirotsugu Tomiyasu ◽  
Xuekai Jiang ◽  
Ummey Rayhan ◽  
Carl Redshaw ◽  
...  
Keyword(s):  
Solvent Effect ◽  
Fluorescent Sensors ◽  
Fluorescence Response ◽  
Solvent Systems

The complexation behaviour of new fluorescent sensors based on 7-tert-butylpyrene towards Zn2+and Cd2+in different solvent systems has been investigated.

Kinetic medium effects. III. Solvent effects on A1 and A2 Hydrolyses in water-dimethyl sulphoxide mixtures

1967 ◽  
Vol 20 (9) ◽  
pp. 1815 ◽  
Author(s):  
BG Cox ◽  
PT McTigue
Keyword(s):  
Ethyl Acetate ◽  
Solvent Effect ◽  
Activity Coefficients ◽  
Solvent Effects ◽  
Butyl Acetate ◽  
Solvent System ◽  
Solvent Composition ◽  
Dimethyl Sulphoxide ◽  
Medium Effects ◽  
System Activity

The relative rates of the concurrent A1 and A2 hydrolyses of t-butyl acetate have been measured as a function of solvent composition in water-dimethyl sulphoxide (DMSO) mixtures. A large difference in solvent effect is observed, which correlates well with observed solvent effects on ethyl acetate (A2) and acetal (Al) hydrolyses in the same solvent system. Activity coefficients have been measured for t-butyl acetate, ethyl acetate, and acetal in various water-DMSO mixtures.

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