Evidence for interchange ligand-exchange processes on solvated beryllium cations

Journal article


Publication Details

Author(s): Puchta R, van Eikema Hommes N, van Eldik R
Journal: Helvetica Chimica Acta
Publisher: Wiley-Blackwell
Publication year: 2005
Volume: 88
Journal issue: 5
Pages range: 911-922
ISSN: 0018-019X


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.



FAU Authors / FAU Editors

Puchta, Ralph PD Dr.
Naturwissenschaftliche Fakultät
van Eikema Hommes, Nico Dr.
Computer-Chemie-Centrum
van Eldik, Rudi Prof. Dr.
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://dx.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.

BibTeX: 

Last updated on 2018-23-06 at 11:23