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Kinetics study of the reaction HO + HNO3

✍ Scribed by Peter S. Connell; Carleton J. Howard


Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
773 KB
Volume
17
Category
Article
ISSN
0538-8066

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✦ Synopsis


The reaction ( l a ) HO + HNO, -+ H,O + NO, (Ib)

-+ H,O, + NO, has been studied using a discharge-flow tube with resonant fluorescence detection of HO. Measurements of k, have been made a t temperatures between 237 and 404 K. Our results and earlier work suggest that the rate constant has a minimum at T = 500 K. Below room temperature our results are given by the expression k = (2.0 ? 0.4) x exp[(430 5 60)/T] cm' molecule-' s-', where the error limits include a n estimate of the measurement accuracy. No dependence of k, on pressure a t 300 K is observed in studies between 1-and lO-torr helium. An upper limit of k, < l % k , a t 300 K is given.


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## Abstract The mechanism for the reaction of HCO with HNO has been studied at the G2M level of theory, based on the geometric parameters optimized by the BH&HLYP/6‐311G(d, p) method. There are three direct hydrogen abstraction channels producing (1) H~2~CO + NO, (2) H~2~NO + CO, and (3) HNOH + CO