Journal of Chemical Physics, Vol.103, No.3, 905-920, 1995
The Interpretation of the C(1)Pi(-A(1)Delta Excitation-Spectra of the Arnh Complex
We use slightly modified versions of earlier ab initio potential energy surfaces for Ar+NH(a (1) Delta) and Ar+NH(c (II)-I-1) to investigate the bend-stretch levels of ArNH complexes, both within an adiabatic bender model and in full variational calculations. The positions of these levels are used to reinterpret the fluorescence excitation spectra reported previously [R. W. Randall, C.-C. Chuang, and M. I. Lester, Chem. Phys. Lett. 200, 113 (1992)]. The first 15 observed bands can be unambiguously assigned, with near-quantitative accuracy. The weak anisotropy in the lower electronic state [ArNH(a (1) Delta)] complicates the rotational structure, since each band involves overlapped transitions out of several, nearly degenerate bend-stretch levels of the complex.
Keywords:SHELL VANDERWAALS COMPLEXES;ROTATIONALLY INELASTIC-COLLISIONS;LASER-INDUCED FLUORESCENCE;OH-AR;ELECTRONIC SPECTROSCOPY;DYNAMICS;PREDISSOCIATION;MOLECULES;STATES;OH-AR(X2-PI)