Calculation of kinetic isotope effects in formation of carbon dioxide from a diester of oxalic acid

1967 ◽  
Vol 45 (24) ◽  
pp. 3045-3047 ◽  
Author(s):  
J. Warkentin ◽  
D. M. Singleton
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Oxalic Acid ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Isotopic Abundance ◽  
Partial Decomposition ◽  
Kinetic Isotope

Equations for the calculation of isotope effects (k12/k13 and k16/k18) in the concerted twobond thermolysis of oxalates are presented. The equations are developed for material of low isotopic abundance such that the presence of doubly labelled molecules can be ignored. No assumption is made about the distribution of 18O between the carbonyl and ether functions, other than that the distribution is known. The experimental data required are the ratios CO246/CO244, and CO245/CO244, corrected for the presence of 17O and 14C, in the CO2 obtained from partial decomposition and in the CO2 from total decomposition and the fractional extent of reaction.

scholarly journals Inverse kinetic isotope effects in the charge transfer reactions of ammonia with rare gas ions

2021 ◽  
Author(s):  
Andriana Tsikritea ◽  
Kibum Park ◽  
Paul Bertier ◽  
Jérôme Loreau ◽  
Timothy P Softley ◽  
...  
Keyword(s):  
Experimental Data ◽  
Charge Transfer ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Data Models ◽  
Transfer Reactions ◽  
Rare Gas ◽  
Complex Chemical ◽  
Kinetic Isotope ◽  
Charge Transfer Reactions

In the absence of experimental data, models of complex chemical environments rely on predicted reaction properties. Astrochemistry models, for example, typically adopt variants of capture theory to estimate the reactivity...

Internal Return of Carbon Dioxide in Decarboxylation: Catalysis of Separation and12C/13C Kinetic Isotope Effects

2009 ◽  
Vol 131 (33) ◽  
pp. 11638-11639 ◽  
Author(s):  
Scott O. C. Mundle ◽  
Steven Rathgeber ◽  
Georges Lacrampe-Couloume ◽  
Barbara Sherwood Lollar ◽  
Ronald Kluger
Keyword(s):  
Carbon Dioxide ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope

scholarly journals [RuII(tpy)(bpy)Cl]+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

2018 ◽  
Vol 54 (61) ◽  
pp. 8518-8521 ◽  
Author(s):  
T. W. Schneider ◽  
M. T. Hren ◽  
M. Z. Ertem ◽  
A. M. Angeles-Boza
Keyword(s):  
Carbon Dioxide ◽  
Dft Calculations ◽  
Isotope Effect ◽  
Kinetic Isotope Effect ◽  
Ruthenium Complex ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Reduction Reaction ◽  
Kinetic Isotope

13C kinetic isotope effect determinations combined with DFT calculations provide insight on the CO2 reduction reaction catalyzed by a ruthenium complex.

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