Heavy Atom Vibrational Modes and Low-Energy Vibrational Autodetachment in Nitromethane Anions Academic Article uri icon

abstract

  • We report infrared spectra of nitromethane anion, CH3NO2−, in the region 700–2150 cm− 1, obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.

publication date

  • June 21, 2015