THEORY OF ROTATIONAL ENERGY-LEVELS OF OPEN-SHELL COMPLEXES CONTAININGTHE O-2 MOLECULE

A new effective Hamiltonian is presented for the analysis of the high- resolution spectra of open-shell van der Waals complexes containing th e O-2 molecule. The effects of electron spin are included but the comp lications of nuclear spin and resultant nuclear spin splitting are neg lected. The Hamiltonian is composed of the rotational, centrifugal dis tortion, and spin-spin interaction terms. The resulting energy levels are divided into two well-separated groups and the pattern is a compli cated function of theta (the angle that the O-2 molecule makes with th e principal a axis of the complex) and phi (the azimuthal angle of the O-2 out of the plane defined by the a and b axes of the complex). Thi s model has been successfully applied to analyze the high-resolution s pectrum of O-2-N2O in the region of the N2O monomer nu(3) vibrational band, which will be presented in a separate paper. (C) 1997 American I nstitute of Physics.