New Transition-State Models and Kinetics of Elimination Reactions of Tertiary Alcohols over Aluminum Oxide

1998 ◽  
Vol 63 (22) ◽  
pp. 7619-7627 ◽  
Author(s):  
H. A. Dabbagh ◽  
J. Mohammad Salehi
Keyword(s):  
Aluminum Oxide ◽  
Transition State ◽  
Tertiary Alcohols ◽  
Elimination Reactions ◽  
State Models ◽  
Kinetics Of

The E2C mechanism in elimination reactions. IX. Re-examination of the olefin-like transition-state

1983 ◽  
Vol 36 (9) ◽  
pp. 1667 ◽  
Author(s):  
DM Muir ◽  
AJ Parker
Keyword(s):  
Double Bond ◽  
Transition State ◽  
Valence Bond ◽  
Large Degree ◽  
Apparent Lack ◽  
Bond Model ◽  
Leaving Group ◽  
Elimination Reactions ◽  
Kinetics Of ◽  
Bond Character

The kinetics and product olefins arising from E2C-like elimination reactions of secondary bromides and tosylates having various alkyl and conjugating substituents at Cα and Cβ are re-examined in the light of the theoretical Pross-Shaik valence-bond model and the apparent lack of a β-phenyl effect. Comparison of the effect of substituents at Cα and Cβ shows that whilst there are differences in reactivity and products of E2C reactions there is also a large degree of double-bond character in the transition state. There is a good correlation between the kinetics of E2C reactions and the double-bond stabilization energy arising from both alkyl and conjugating substituents. Contributing valence-bond structures, giving asymmetry and partial charge at Cα and Cβ appear to vary in importance according to leaving group and substituent type.

scholarly journals Force-modulated reductive elimination from platinum(ii) diaryl complexes

2021 ◽  
Author(s):  
Yichen Yu ◽  
Chenxu Wang ◽  
Liqi Wang ◽  
Cai-Li Sun ◽  
Roman Boulatov ◽  
...  
Keyword(s):  
Transition State ◽  
Reductive Elimination ◽  
Mechanical Force ◽  
Elimination Reactions

The influence of mechanical force on the rates of model reductive elimination reactions depends on the structure of the force-transducing ligand and provides a measure of geometry changes upon reaching the transition state.

scholarly journals Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment

2021 ◽  
Author(s):  
Arghadwip Paul ◽  
Suman Samantray ◽  
Marco Anteghini ◽  
Mohammed Khaled ◽  
Birgit Strodel
Keyword(s):  
Amyloid Β ◽  
Md Simulations ◽  
Amyloid Β Peptide ◽  
Intrinsically Disordered ◽  
Thermodynamics And Kinetics ◽  
Markov State ◽  
Markov State Models ◽  
State Models ◽  
Kinetics Of

The convergence of MD simulations is tested using varying measures for the intrinsically disordered amyloid-β peptide (Aβ). Markov state models show that 20–30 μs of MD is needed to reliably reproduce the thermodynamics and kinetics of Aβ.

THE ALKALINE CLEAVAGE OF o-NITROBENZYLTRIMETHYLSILANE SOLVENT EFFECTS IN THE DIOXANE–WATER SYSTEM

1963 ◽  
Vol 41 (6) ◽  
pp. 1525-1530 ◽  
Author(s):  
H. R. Allcock
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Water System ◽  
Solvent Polarity ◽  
High Water ◽  
Aqueous Dioxane ◽  
Alkaline Cleavage ◽  
Rate Of Reaction ◽  
Kinetics Of

The kinetics of alkaline cleavage of o-nitrobenzyltrimethylsilane were examined in aqueous dioxane media. At high water concentrations, increases in solvent polarity retard the cleavage, as required by a mechanism involving charge dispersion in the transition state. At high dioxane concentrations, solvent polarity increases are accompanied by increases in the rate of reaction, a result which may reflect association between the solvent components.

Molecular rearrangements in homogeneous gas-phase elimination reactions. Pyrolysis kinetics of alkyl methanesulphonates

1993 ◽  
Vol 6 (2) ◽  
pp. 85-94 ◽  
Author(s):  
Gabriel Chuchani ◽  
Ignacio Martin ◽  
Rosa M. Dominguez ◽  
Alexandra Rotinov ◽  
Sara Pekerarm ◽  
...  
Keyword(s):  
Gas Phase ◽  
Pyrolysis Kinetics ◽  
Molecular Rearrangements ◽  
Elimination Reactions ◽  
Kinetics Of ◽  
Phase Elimination
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