Global 1
1A″ potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(1D)
+ H2
→ CH(2Π)
+ H reaction
Abstract
A global adiabatic potential energy surface (1A″
(1
1B1) of CH2 has been computed in a similar way as the first singlet state 1
1A′ in our previous work [B. Bussery-Honvault et al., J. Chem. Phys., 2001, 115, 10
701]. This
1A″ PES in the collision energy range [0–11.5 kcal mol−1]. The J
= 0 reaction probabilities show dense resonance structures as those obtained with the 1
1A′