| Literature DB >> 20678945 |
Marzena Sokalska1, Małgorzata Prussakowska, Marcin Hoffmann, Błazej Gierczyk, Rafał Frański.
Abstract
The following ions [UO(2)(NO(3))(3)](-), [UO(2)(ClO(4))(3)](-), [UO(2)(CH(3)COO)(3)](-) were generated from respective salts (UO(2)(NO(3))(2), UO(2)(ClO(4))(3), UO(2)(CH(3)COO)(2)) by laser desorption/ionization (LDI). Collision induced dissociation of the ions has led, among others, to the formation of UO(4)(-) 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 U(VI) compound, in which oxygen atoms bear unpaired electron and negative charge.Entities:
Year: 2010 PMID: 20678945 DOI: 10.1016/j.jasms.2010.06.018
Source DB: PubMed Journal: J Am Soc Mass Spectrom ISSN: 1044-0305 Impact factor: 3.109