Vibrational and rotational energy transfer of CH+ in collisions with 4He and 3He
Institut des Sciences Moléculaires, CNRS: UMR 5255, 351 cours de la Libération, 33405 Talence, France
2 Russian Academy of Sciences, Institute of Chemical Physics, Chernogolovka, Moscow, 142432, Russia
Corresponding author: a firstname.lastname@example.org
Published online: 17 October 2007
A quantum mechanical investigation of vibrational and rotational energy transfer in cold and ultra cold collisions of CH+ with 3He and 4He atoms is presented. Ab initio potential energy calculations are carried out at the BCCD(T) level and a global 3D potential energy surface is obtained using the Reproducing Kernel Hilbert Space (RKHS) method. Close coupling scattering calculations using this surface are performed at collision energy ranging from 10-6 to 2000 cm-1. In the very low collision energy limit, the vibrational and rotational quenching cross sections of CH+ in collisions with He are found to be of the same order of magnitude. This unusual result is attributed to the large angular anisotropy of the intermolecular potential and to the unusually small equilibrium value of the Jacobi R coordinate of the He–CH+ complex. As for the He–N2+ collision, we also find a strong isotope effect in the very low collision energy range which is analyzed in terms of scattering length and the differences between these two collisions are also discussed.
PACS: 34.20.Mq – Potential energy surfaces for collisions / 34.50.-s – Scattering of atoms and molecules / 34.50.Ez – Rotational and vibrational energy transfer / 34.50.Pi – State-to-state scattering analyses
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2007