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American Chemical Society, Journal of The American Society for Mass Spectrometry, 10(21), p. 1789-1794, 2010

DOI: 10.1016/j.jasms.2010.06.018

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Unusual ion UO4 − formed upon collision induced dissociation of [UO2(NO3)3]−, [UO2(ClO4)3]−, [UO2(CH3COO)3]− ions

Journal article published in 2010 by Marzena Sokalska, Małgorzata Prussakowska, Marcin Hoffmann ORCID, Błażej Gierczyk, Rafał Frański
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The following ions [UO2(NO3)3]-, [UO2(ClO4)3]-, [UO2(CH3COO)3]- were generated from respective salts (UO2(NO3)2, UO2(ClO4)3, UO2(CH3COO)2) by laser desorption/ionization (LDI). Collision induced dissociation of the ions has led, among others, to the formation of UO4- ion (m/z 302). The undertaken quantum mechanical calculations showed this ion is most likely to possess square planar geometry as suggested by MP2 results or strongly deformed geometry in between tetrahedral and square planar as indicated by DFT results. Interestingly, geometrical parameters and analysis of electron density suggest it is an UVI compound, in which oxygen atoms bear unpaired electron and negative charge.