Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers
نویسندگان
چکیده
منابع مشابه
Thermochemical kinetics of hydrogen-atom transfers between methyl, methane, ethynyl, ethyne, and hydrogen.
Saddle point properties of three symmetric and one asymmetric hydrogen transfer and the energy of reaction of the asymmetric reactions are investigated in the present work. These reactions were calculated by various density functionals, many of which were developed in recent years, by coupled cluster theory, and by multicoefficient correlation methods based on wave function theory. Instead of c...
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where H-H-C and H-D-C are weak bonds and make a negligible contribution, leads to a value of -2 kcal. Therefore, E5-E2=1 kcal compared with the experimental value of 1.0 kcal. The preexponential factor for this pair of isotopic reactions can be calculated from the difference in the entropies of activation. Using the same loose complex as above and applying the expression derived by Bigeleisens ...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2016
ISSN: 0002-7863,1520-5126
DOI: 10.1021/jacs.6b02032