Issue 33, 2008
From the journal:

Chemical Communications

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

Zhaosheng Qian,a   Hui Feng,a   Wenjing Yang,a   Qiang Miao,a   Lina Hea  and  Shuping Bi*a  

* Corresponding authors

a School of Chemistry and Chemical Engineering, State Key Laboratory of Coordination Chemistry of China & Key Laboratory of MOE for Life Science, Nanjing University, People’s Republic of China
E-mail: bisp@nju.edu.cn
Fax: +86-25-83317761
Tel: +86-25-86205840

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.

Graphical abstract: Supermolecule density functional calculations on the water exchange of aquated Al(iii) species in aqueous solution

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Article information

DOI
https://doi.org/10.1039/B806433D
Article type
Communication
Submitted
15 Apr 2008
Accepted
21 May 2008
First published
03 Jul 2008

Chem. Commun., 2008, 3930-3932

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

Z. Qian, H. Feng, W. Yang, Q. Miao, L. He and S. Bi, Chem. Commun., 2008, 3930 DOI: 10.1039/B806433D

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