Evidence for interchange ligand-exchange processes on solvated beryllium cations

Puchta R, van Eikema Hommes N, van Eldik R (2005)

Publication Status: Published

Publication Type: Journal article

Publication year: 2005

Journal

Helvetica Chimica Acta Wiley-Blackwell

Publisher: Wiley-Blackwell

Book Volume: 88

Pages Range: 911-922

Journal Issue: 5

DOI: 10.1002/hlca.200590085

Abstract

The ligand-exchange mechanism of solvated Be2+ cations has been studied by means of DFT calculations (RB3LYP/6-311 + G**). Ligand exchange around [BeL4](2+), where L = H2O, NH3, CO2, formaldehyde (H2CO), HCN, N-2, and CO, was found to follow an associative interchange (I.) 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 Be2+ systems.

Authors with CRIS profile

Ralph Puchta Naturwissenschaftliche Fakultät Nicolaas van Eikema Hommes Computer-Chemie-Centrum (CCC) Rudi van Eldik Naturwissenschaftliche Fakultät

How to cite

APA:

Puchta, R., van Eikema Hommes, N., & van Eldik, R. (2005). Evidence for interchange ligand-exchange processes on solvated beryllium cations. Helvetica Chimica Acta, 88(5), 911-922. https://doi.org/10.1002/hlca.200590085

MLA:

Puchta, Ralph, Nico van Eikema Hommes, and Rudi van Eldik. "Evidence for interchange ligand-exchange processes on solvated beryllium cations." Helvetica Chimica Acta 88.5 (2005): 911-922.

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