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Evidence for Interchange Ligand-Exchange Processes on Solvated Beryllium Cations

✍ Scribed by Ralph Puchta; Nico van Eikema Hommes; Rudi van Eldik

Publisher
John Wiley and Sons
Year
2005
Tongue
German
Weight
284 KB
Volume
88
Category
Article
ISSN
0018-019X

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✦ Synopsis

Abstract

The ligand‐exchange mechanism of solvated Be^2+^ cations has been studied by means of DFT calculations (RB3LYP/6‐311+G**). Ligand exchange around [BeL~4~]^2+^, where L=H~2~O, NH~3~, CO~2~, formaldehyde (H~2~CO), HCN, N~2~, and CO, was found to follow an associative interchange (I~a~) process in all cases. The size of the activation barrier is almost independent of the type of donor atom, and depends mainly on the hybridization undergone by the donor atom. This, in turn, suggests that steric effects play a major role in solvent‐ and ligand‐exchange reactions in Be^2+^ systems.

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