A new mechanism for the CH(X-2 Pi)+NO(X-2 Pi)-> CO(X-1 Sigma(+))+NH(X-3 Sigma(-)) reaction on the triplet surface

Using second-order Moller-Plesset (MP?) perturbation theory, a new mechanis m for the reaction of CH((XII)-I-2)+ NO((XII)-I-2) + CO(X(3)Sigma(-)) + NH( X(3)Sigma(-)) has been revealed on the (3)A" potential energy surface. The association of CH with NO leads to cis-HCON which decomposes directly to th e products CO + NH via a four-membered ring transition state. The minimum-e nergy path is analyzed by an intrinsic reaction coordinate calculation. G1, G2 and G2MP2 methods are used to obtain the barrier heights and reaction h eats. (C) 1999 Elsevier Science B.V. All rights reserved.