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.

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.

Theoretical Simulations of Heavy-Atom Kinetic Isotope Effects in Aliphatic Claisen Rearrangement

2020 ◽  
Vol 124 (51) ◽  
pp. 10678-10686
Author(s):  
Yuqing Xu ◽  
Kin-Yiu Wong ◽  
Meishan Wang ◽  
Desheng Liu ◽  
Wenkai Zhao ◽  
...  
Keyword(s):  
Claisen Rearrangement ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Theoretical Simulations
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