April 9, 2015
Journal Article

Infrared Multiphoton Dissociation Spectroscopy of a Gas-Phase Complex of Uranyl and 3-Oxa-Glutaramide: An Extreme Red-Shift of the [O=U=O]2+ Asymmetric Stretch

Abstract

The gas-phase complex UO2(TMOGA)22+ (TMOGA = tetramethyl-3-oxa-glutaramide) prepared by electrospray ionization was characterized by infrared multiphoton dissociation (IRMPD) spectroscopy. The IRMPD spectrum from 700–1800 cm–1 was interpreted using a computational study based on density functional theory. The predicted vibrational frequencies are in good agreement with the measured values, with an average deviation of only 8 cm–1 (

Revised: September 29, 2015 | Published: April 9, 2015

Citation

Gibson J.K., H. Hu, M.J. Van Stipdonk, G. Berden, J. Oomens, and J. Li. 2015. Infrared Multiphoton Dissociation Spectroscopy of a Gas-Phase Complex of Uranyl and 3-Oxa-Glutaramide: An Extreme Red-Shift of the [O=U=O]2+ Asymmetric Stretch. Journal of Physical Chemistry A 119, no. 14:3366–3374. doi:10.1021/jp512599e