A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline

作者：Mirzaei Masoud^*; Hassanpoor Azam; Bauza Antonio; Mague Joel T; Frontera Antonio

来源：Inorganica Chimica Acta, 2015, 426: 136-141.

DOI：10.1016/j.ica.2014.10.032

• Uranyl complex
• 8-Hydroxyquinoline
• Noncovalent interactions
• DFT calculations
• X-ray crystallography

A new solvated complex of the uranyl ion, [UO2(quin)(2)(H'quin)]center dot DMF (1), (Hquin = 8-hydroxyquinoline and H'quin = quinolinium-8-olate, i. e. the zwitterionic form of Hquin) was synthesized and investigated by means of elemental analysis, IR spectroscopy and X-ray crystallography. Interestingly one coordinated 8-hydroxyquinoline is protonated, thus provoking the simultaneous existence of an electron rich and electron poor ring in the same molecule. This clearly enhances the ability of this ring to form antiparallel stacking interactions that are responsible for the solid state architecture of compound 1. This aspect has been analyzed by means of density functional theory calculations (DFT), molecular electrostatic potential (MEP) tool and Bader's theory of "atoms in molecules".

• 出版日期2015-2-24