Theoretical studies of rotational and spin–orbit predissociation of the Ne·XH (X&cmb.tilde; 2Π, X = O,S) van der Waals complexes.

Autor: Lee, Hee-Seung, McCoy, Anne B.
Zdroj: Physical Chemistry Chemical Physics (PCCP); April 17, 2002, Vol. 4 Issue: 9 p1564-1570, 7p
Abstrakt: The rotational and spin–orbit predissociation dynamics of Ne·XH (X&cmb.tilde; 2Π, X = O,S) complexes is investigated using the stabilization method of Mandelshtam et al. (Phys. Rev. A, 1994, 50, 2764) with ab initio potential surfaces. The calculations show large variations in the lifetimes of the Ne·XH complexes within narrow energy ranges. In particular, we found that the calculated lifetimes displayed strong dependencies on the parity of the state and on the projection of the angular momentum onto the internuclear axis. Comparisons with available experimental resonance energies and lifetimes are made and the results are found to be in good agreement.
Databáze: Supplemental Index