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Because all of the complexes, transition state, and products involved in the feasible pathway lie below the reactants, the title reaction is expected to be rapid, which in good agreement experiment. The present study may be helpful for probing the mechanisms of the HONO reactions and ...
The mechanisms and the kinetics of the OH radical reaction with 4-hydroxy-2-butanone (4H2B) are investigated theoretically. Five hydrogen-abstraction channels are identified for the title reaction. The first potential energy profile of the title reaction is presented. The rate constants for each ...
through the vibration analysis.The energies of stationary points along the pathways were also calculated at the QCISD(T)/6-311G(d,p) level.Our study indicates that there are many reaction pathways for the title reaction and the main reaction pathways should be P3(H2NO+CO) and P7(HCO + ...
Kinetics of the reaction OH+H2O2→HO2+H2O An experimental study of the title reaction over the temperature range 250 to 459 K is described that uses the discharge‐flow technique, laser‐induced–f... Sridharan, U. C.,Reimann, B.,Kaufman, F. - 《Journal of Chemical Physics》 被引量:...
The rate coefficient for reaction of OH with CH C(CH)C(O)OONO (MPAN, peroxymethacrylic nitric anhydride), , has been determined using a relative rate technique. Consistent results were obtained with ethene and propene as the reference compound, and a rate coefficient of =(3.2±0.8)×10 cm...
The rate constants of the radical–radical reaction OH(X)+NH(a)→products and the radical–molecule reaction OH(X)+HN3→products were determined in a quasistatic laser photolysis cell at room temperature and a total pressure of 20 mbar. The radicals OH(X) and NH(a) were generated by exci...
The results of the reaction of an OH radical with a number of functionalized organic sulfides reported here demonstrate that the pH, the nature of the functional group and the chain length affect the nature of the OH radical reaction with sulfides. The transient absorption spectrum (λmax = 295...
Room temperature (27°C) rate constants for the reaction of ⋅OH radical (formed by absorption of photons) with the substrates have been estimated by using the model equation. The calculated rate constants are of the same order of magnitude as reported for other similar aromatic compounds. ...
The rate constants for the reaction of OH with SO(M=He, Ar, N, O, CO, and SO) have been determined in a discharge flow system with an OH resonance fluorescence detector. The results are as follows: k(M=He) = (7.91 +/- 0.24) x 10(T/298)/sup -(2.85 +- 0.21)/ (261-414 ...