Solvent Effects on the Kinetics of a Diels−Alder Reaction in Gas-Expanded Liquids

2008 ◽  
Vol 47 (3) ◽  
pp. 632-637 ◽  
Author(s):  
Jackson W. Ford ◽  
Jie Lu ◽  
Charles L. Liotta ◽  
Charles A. Eckert
Keyword(s):  
Solvent Effects ◽  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction ◽  
Gas Expanded Liquids ◽  
Kinetics Of

Kinetic Study of the Diels-Alder Reaction of Cyclopentadiene with Bis(2-Ethylhexyl) Maleate

2013 ◽  
Vol 634-638 ◽  
pp. 541-545 ◽  
Author(s):  
Jun Seong Park ◽  
Dae Hee Yun ◽  
Tae Won Ko ◽  
Yong Sung Park ◽  
Je Wan Woo
Keyword(s):  
Kinetic Study ◽  
Reaction Temperature ◽  
Atmospheric Pressure ◽  
Arrhenius Equation ◽  
Alder Reaction ◽  
Diels Alder ◽  
Influence Of Temperature ◽  
Diels Alder Reaction ◽  
Influence Of Temperature On ◽  
Kinetics Of

The kinetics of the Diels-Alder reaction of cyclopentadiene with bis(2-ethylhexyl) maleate has been studied at temperatures between 25 and 100 °C and at atmospheric pressure. The influence of temperature on the kinetic constants was determined by fitting the results to the Arrhenius equation. As a result, fitting line similar with the linear curve of the Arrhenius equation at 25, 30 and 40 °C. However, the fitting curve, at 60, 80 and 100 °C, tended towards the outside of the curve in the form of Arrhenius equation. The ratio of endo/exo was a slight change from increase of the reaction temperature.

Reply to Comment on “Kinetics of a Diels−Alder Reaction of Maleic Anhydride and Isoprene in Supercritical CO2”

2003 ◽  
Vol 107 (43) ◽  
pp. 9249-9249 ◽  
Author(s):  
Evgeni M. Glebov ◽  
Larisa G. Krishtopa ◽  
Victor Stepanov ◽  
Lev N. Krasnoperov
Keyword(s):  
Maleic Anhydride ◽  
Supercritical Co2 ◽  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction ◽  
Kinetics Of

Kinetics of a Diels—Alder Reaction in Supercritical Propane

1995 ◽  
pp. 166-178 ◽  
Author(s):  
Barbara L. Knutson ◽  
Angela K. Dillow ◽  
Charles L. Liotta ◽  
Charles A. Eckert
Keyword(s):  
Alder Reaction ◽  
Diels Alder ◽  
Diels Alder Reaction ◽  
Kinetics Of

scholarly journals Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity

2020 ◽  
Author(s):  
Matthew Hennefarth ◽  
Anastassia N. Alexandrova
Keyword(s):  
Electric Field ◽  
Electron Density ◽  
Electric Fields ◽  
Alder Reaction ◽  
Diels Alder ◽  
Charge Movement ◽  
External Electric Fields ◽  
Topological Features ◽  
Diels Alder Reaction ◽  
Kinetics Of

<div> <div> <div> <p>External electric fields have proven to be an effective tool in catalysis, on par with pressure and temperature, affecting the thermodynamics and kinetics of a reaction. However, fields in molecules are complicated heterogeneous vector objects, and there is no universal recipe for grasping the exact features of these fields that implicate reactivity. Herein, we demonstrate that topological features of the heterogeneous electric field within the reactant state, as well as of the quantum mechanical electron density – a scalar reporter on the field experienced by the system – can be identified as rigorous descriptors of the reactivity to follow. We scrutinize specifically the Diels-Alder reaction. Its 3-D nature and the lack of a singular directionality of charge movement upon barrier crossing makes the effect of the electric field not obvious. We show that the electric field topology around the dienophile double bond, and the associated changes in the topology of the electron density in this bond are predictors of the reaction barrier. They are also the metrics by which to rationalize and predict how the external field would inhibit or enhance the reaction. The findings pave the way toward designing external fields for catalysis, as well as reading the reactivity without an explicit mechanistic interrogation, for a variety of reactions. </p> </div> </div> </div>

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