Chem. Phys. Lett. 311, 281-291 (1999)


 How strong can be the complexes between methane radical cation and noble gas atoms?

This article studies the interaction the methane radical cation (C2v) with noble gas atoms (He, Ne, Ar, and Kr). A number of stationary points, between 5 and 7, have been located depending on the interacting noble gas atom. MP2, MP4 and CCSD-T computational levels with the 6-311++G(d,p) and 6-311++G(2d,2p) basis sets have been used. The minima show different characteristics depending on the interacting hydrogen atom, similar to hydrogen-bonded or van der Waals complexes. The transition states obtained indicate an easy transfer between the symmetrical and non-symmetrical complexes.