Complexation of uranyl with benzoic acid in aqueous solution at variable temperatures: potentiometry, spectrophotometry and DFT calculations
Yuxiao Guo, Haiwang Liu, Hong Cao, Xue Dong, Zhipeng Wang, Jing Chen, Chao Xu
Abstract
, L = benzoate ion) between U(VI) and benzoic acid are successfully identified in aqueous solution and their corresponding thermodynamic parameters (stability constant, enthalpy and entropy) are determined. Notably, this is the first time that the previously missing 1 : 2 and 1 : 3 (U to L) complexes in aqueous solution and their complexation thermodynamics have been reported, which would aid in more accurate prediction of the chemical behavior of U(VI) in the presence of benzoic acid. Moreover, the structures of the complexes are elucidated using DFT calculations, which show that benzoic acid coordinates to U(VI) in a bidentate form in all the complexes.
Topics & Concepts
ChemistryBenzoic acidUranylAqueous solutionEnthalpyDenticityInorganic chemistryChemical stabilityStability constants of complexesPhysical chemistryCoordination complexIonThermodynamicsOrganic chemistryMetalPhysicsRadioactive element chemistry and processingAnalytical chemistry methods developmentChemical and Physical Properties in Aqueous Solutions