Microwave spectroscopy of the Ne–OH(2Πi) complex and three-dimensional intermolecular potentials

Abstract

Pure rotational transitions in the ground electronic state for Ne–OH and Ne–OD have been observed by Fourier-transform microwave spectroscopy with resolved fine and hyperfine structures. For Ne–OH, rovibrational transitions between the levels with P = 0.5 and 1.5 have also been observed by double-resonance spectroscopy in the millimetre wave region. A three-dimensional potential energy surface has been determined for the complex by a simultaneous analysis utilizing the data of the two isotopologues, where all the freedom of motions for an atom-diatom system in the Jacobi coordinate, R, θ, and r, were considered. Rovibrational energies calculated using the determined potential surface are compared with those by previous experimental results by Chuang et al. (J. Chem. Phys., 1995, 103, 3418).