Supermolecule density functional calculations on the water exchange of aquated Al(III) species in aqueous solution

Zhaosheng Qian; Hui Feng; Wenjing Yang; Qiang Miao; Lina He; Shuping Bi

doi:10.1039/b806433d

Supermolecule density functional calculations on the water exchange of aquated Al(III) species in aqueous solution

Chem Commun (Camb). 2008 Sep 7:(33):3930-2. doi: 10.1039/b806433d. Epub 2008 Jul 3.

Authors

Zhaosheng Qian¹, Hui Feng, Wenjing Yang, Qiang Miao, Lina He, Shuping Bi

Affiliation

¹ School of Chemistry and Chemical Engineering, State Key Laboratory of Coordination Chemistry of China & Key Laboratory of MOE for Life Science, Nanjing University, Nanjing, People's Republic of China.

PMID: 18726038
DOI: 10.1039/b806433d

Abstract

Supermolecule density functional calculations suggest the dissociative (D) mechanism for the water exchange of aquated Al(iii) species in aqueous solution and the calculated results agree well with experimental data.