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Gas-Phase Reactions of HONO with HNO and NH 3 : an Ab Initio MO/TST Study

✍ Scribed by Lu, Xin; Musin, Ryza N.; Lin, M. C.


Book ID
126116689
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
163 KB
Volume
104
Category
Article
ISSN
1089-5639

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Potential-energy surfaces for various channels of the reaction have HNO Ο© NO 2 been studied at the G2M(RCC,MP2) level. The calculations show that direct hydrogen abstraction leading to the products should be the most significant reaction mech-NO Ο© cis-HONO anism. Based on TST calculations of the rat

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The kinetics of the reversible reaction HONO+NH,eH,N-HONO ( 1) was studied by monitoring tram-HONO relaxation kinetics. The rate of approach towards equilibrium was studied as a function of the ammonia concentration to obtain values of the rate constants for the forward and reverse reactions as wel