Rate Constants and Arrhenius Functions for Ring Opening of a Cyclobutylcarbinyl Radical Clock and for Hydrogen Atom Transfer From the Et3B−MeOH Complex

2008 ◽  
Vol 73 (12) ◽  
pp. 4740-4742 ◽  
Author(s):  
Jing Jin ◽  
Martin Newcomb
Keyword(s):  
Hydrogen Atom ◽  
Rate Constants ◽  
Ring Opening ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer ◽  
Radical Clock

Experimental Validation of Hydrogen Atom Transfer Gibbs Free Energy as a Predictor of Nitroaromatic Reduction Rate Constants

2019 ◽  
Vol 53 (10) ◽  
pp. 5816-5827 ◽  
Author(s):  
Jimmy Murillo-Gelvez ◽  
Kevin P. Hickey ◽  
Dominic M. Di Toro ◽  
Herbert E. Allen ◽  
Richard F. Carbonaro ◽  
...  
Keyword(s):  
Free Energy ◽  
Hydrogen Atom ◽  
Gibbs Free Energy ◽  
Rate Constants ◽  
Experimental Validation ◽  
Reduction Rate ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer

Hydrogen Atom Transfer Rates from Tp-Containing Metal Hydrides to Trityl Radicals

2020 ◽  
Author(s):  
Hunter B. Vibbert ◽  
Hagen Neugebauer ◽  
Jack R Norton ◽  
Andreas Hansen ◽  
Markus Bursch ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Rate Constants ◽  
Transfer Rate ◽  
Metal Hydrides ◽  
Hydrogen Atom Transfer ◽  
Transfer Reactions ◽  
Atom Transfer ◽  
Transfer Rates ◽  
Borate Complexes ◽  
And Tungsten

The H• transfer rate constants for a series of group 6 molybdenum and tungsten pyrazolyl borate complexes are described. The rate constants for these complexes were found to span a range over 1 magnitude. Analysis of the H• transfer rate constants suggests that a combination of steric, electronic, and enthalpic factors are important in these reactions. Further analysis of the components suggests that the generated 17 e– radicals of these complexes are less electrophilic than the more commonly used CpCr(CO)3H complexes. General implications for H• transfer reactions are discussed.

Ring opening and hydrogen-atom transfer trapping of the bicyclo[2.1.0]pent-2-yl radical

1991 ◽  
Vol 113 (3) ◽  
pp. 949-958 ◽  
Author(s):  
Martin Newcomb ◽  
M. Beata Manek ◽  
Anne G. Glenn
Keyword(s):  
Hydrogen Atom ◽  
Ring Opening ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer

scholarly journals Hydrogen atom transfer in the photochemical isomerization of hydrazones of 1,2,4-oxadiazole derivatives

2021 ◽  
Author(s):  
Maurizio D’Auria
Keyword(s):  
Hydrogen Atom ◽  
Nitrogen Atom ◽  
Ring Opening ◽  
Singlet State ◽  
Hydrogen Atom Transfer ◽  
Atom Transfer ◽  
Excited Singlet ◽  
Photochemical Isomerization ◽  
Oxadiazole Derivatives ◽  
Concerted Reaction

AbstractDFT calculations on the photoisomerization of hydrazones of 1,2,4-oxadiazole derivatives to 1,2,5-triazoles have been performed showing that the reaction occurred through the first excited singlet state. The Z isomer gave the reaction through a hydrogen atom transfer of the hydrazonic nitrogen atom to the nitrogen atom in four position on the oxadiazole ring. In this case, the isomerization was a concerted reaction. The E isomer could undergo the same reaction. However, it could not be a concerted reaction but required the presence of a ring opening intermediate.

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