Studies of solvent effects. IV. Study of hydration of the dimethyl phosphate anion (DMP−) and of the solvent effect upon its conformation

2009 ◽  
Vol 16 (S6) ◽  
pp. 409-437
Author(s):  
J. Langlet ◽  
P. Claverie ◽  
B. Pullman ◽  
D. Piazzola
Keyword(s):  
Solvent Effect ◽  
Solvent Effects ◽  
Phosphate Anion ◽  
Dimethyl Phosphate

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.

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.

Reexamination of the conformations of dimethyl phosphate anion in water

1995 ◽  
Vol 334 (1) ◽  
pp. 29-35 ◽  
Author(s):  
Atsushi Kamitakahara ◽  
Chih-Li Hsu ◽  
Julianto Pranata
Keyword(s):  
Phosphate Anion ◽  
Dimethyl Phosphate

Solvent effect - Classification of parameters describing influence of solvents

1983 ◽  
Vol 48 (11) ◽  
pp. 3287-3306 ◽  
Author(s):  
Petr Svoboda ◽  
Oldřich Pytela ◽  
Miroslav Večeřa
Keyword(s):  
Factor Analysis ◽  
Solvent Effect ◽  
Solvent Effects ◽  
Reaction Mechanisms ◽  
Chemical Processes ◽  
Point Of View ◽  
Regression Coefficients ◽  
Orthogonal Set ◽  
Influence Of Solvents

On the basis of factor analysis of data matrices containing 35 empirical and non-empirical parameters for 85 solvents (or a limited matrix of 20 parameters for 51 solvents), an orthogonal set of parameters with normed normal distribution has been suggested which characterizes influence of the solvents on chemical processes. A four-parameter equation has been suggested for description of the solvent effect in the form A = A0 + aAP + bBP + eEP + pPP, where AP, BP, EP, PP are newly introduced parameters expressing individual types of interactions between solvent and solute. A comparison has been carried out of these parameters with those defined earlier. The new set of parameters was tested with 22 examples taken from literature. The correlations obtained show higher or comparable agreement as compared with those carried out earlier. Values of the regression coefficients make it possible to discuss the reaction mechanisms from the point of view of solvent effects.

Sign in / Sign up

Export Citation Format

Share Document