Theoretical investigation of the rovibrational fine-structure spectrum of argon-imidogen in its electronic ground state.
In: Chemical Physics Letters, Jg. 214 (1993) ; Nr. 1, S. 103-108
Zeitschriftenaufsatz / Fach: Chemie
Based on an ab initio potential energy surface for the X3A'' ground state of the Ar-NH van der Waals complex its rovibrational fine-structure spectrum has been calcd. The authors find four Ar-NH stretching vibrational modes with the NH radical in a nearly unperturbed n = 0 rotational state and one vibrational mode with NH in its first excited rotational level n = 1. The results are discussed and interpreted by means of pseudodiat. model calcns.