Solvent effect on reaction barriers. The SN2 reaction. 1. Application to the identity exchange

1984 ◽  
Vol 106 (5) ◽  
pp. 1227-1232 ◽  
Author(s):  
Sason S. Shaik
Keyword(s):  
Solvent Effect ◽  
Sn2 Reaction ◽  
Reaction Barriers

scholarly journals Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase

2010 ◽  
Vol 114 (18) ◽  
pp. 5913-5918 ◽  
Author(s):  
Shubin Liu ◽  
Hao Hu ◽  
Lee G. Pedersen
Keyword(s):  
Gas Phase ◽  
Electrostatic Effects ◽  
Sn2 Reaction ◽  
Reaction Barriers

How Alkyl Halide Structure Affects E2 and SN2 Reaction Barriers: E2 Reactions Are as Sensitive as SN2 Reactions

2014 ◽  
Vol 79 (3) ◽  
pp. 867-879 ◽  
Author(s):  
Paul R. Rablen ◽  
Brett D. McLarney ◽  
Brandon J. Karlow ◽  
Jean E. Schneider
Keyword(s):  
Alkyl Halide ◽  
Sn2 Reactions ◽  
Sn2 Reaction ◽  
Reaction Barriers

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>

Isotope solvent effect on the hydrogenation of maleic acid

1978 ◽  
Vol 43 (7) ◽  
pp. 1832-1837
Author(s):  
Rostislav Kudláček ◽  
Josef Cabicar ◽  
Milan Buňata
Keyword(s):  
Solvent Effect ◽  
Maleic Acid
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