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
- Gibson, J.K.
- Hu, H.S.
- Van Stipdonk, M.J.
- Berden, G.
- Oomens, J.
- Li, J.
DOIAbstract
The gas-phase complex UO2(TMOGA)(2)(2+) (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) (<1%) and a maximum deviation of 21 cm(-1) (<2%). The only IR peak assigned to the linear uranyl moiety was the asymmetric v(3) mode, which appeared at 965 cm(-1) and was predicted by DFT as 953 cm(-1). This v(3) frequency is red-shifted relative to bare uranyl, UO22+, by ca. 150 cm(-1) due to electron dona...
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