New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled
and
States of CH2
Figure 1
(a) Contour plot for the PES of CH2 as a function of and (bohr) with ∠HCH fixed at the equilibrium value 102.45°. (b) Contour plot for the PES of CH2 as a function of and (bohr) with ∠HCH fixed at the equilibrium value 144.36°. Energies (kcal/mol) are relative to the C()+H2 asymptote.
