Faculty of Chemistry, Adam Mickiewicz University, Poznań, Poland.
J Am Soc Mass Spectrom. 2010 Oct;21(10):1789-94. doi: 10.1016/j.jasms.2010.06.018. Epub 2010 Jul 7.
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.
以下离子 UO(2)(NO(3))(3), UO(2)(ClO(4))(3), UO(2)(CH(3)COO)(3) 是由相应的盐 (UO(2)(NO(3))(2), UO(2)(ClO(4))(3), UO(2)(CH(3)COO)(2)) 通过激光解吸/电离 (LDI) 生成的。离子的碰撞诱导解离导致了 UO(4)(-) 离子 (m/z 302) 的形成。进行的量子力学计算表明，该离子最有可能具有平面正方形几何形状，正如 MP2 结果所建议的那样，或者具有强烈变形的几何形状，介于四面体和平面正方形之间，如 DFT 结果所表明的那样。有趣的是，几何参数和电子密度分析表明，它是一种 U(VI) 化合物，其中氧原子带有不成对电子和负电荷。
