Issue 22, 2004

Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(vi) complexes in solution

Abstract

This perspective article describes the combination of experimental data and quantum chemical methods for the determination of structure and reaction mechanisms of uranyl(VI) complexes in aqueous solution. The first part assesses the accuracy of the chemical and thermodynamic properties of solvated uranyl(VI) complexes as obtained by various quantum chemical methods. The second part discusses structure determination, mechanisms for ligand exchange and the lability of coordinated water molecules for various uranyl(VI) complexes using a combination of NMR and quantum chemical data.

Graphical abstract: Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(vi) complexes in solution

Article information

Article type
Perspective
Submitted
01 Jul 2004
Accepted
25 Aug 2004
First published
20 Sep 2004

Dalton Trans., 2004, 3799-3807

Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(VI) complexes in solution

V. Vallet, Z. Szabó and I. Grenthe, Dalton Trans., 2004, 3799 DOI: 10.1039/B410005K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements