Excitation of neutral molecules: probing the dynamics by translational energy spectrometry

Abstract

High-resolution translational energy spectroscopy has been applied to the study of collision-induced excitation of neutral diatomic and polyatomic molecules using molecular projectile ions. Techniques to simulate the experimentally observed energy loss spectra are explored and information regarding the relative oscillator strengths to different electronic states of the neutral targets has been obtained. The effects of changing the quantal description of the projectile are studied and the results are understood within the domain of wavefunction overlaps. Concomitant calculations of the wavefunction overlap of the highest occupied molecular orbitals of the collision partners yield results which are consistent with the experimental observations.