Journal article
Effect of π-donating substituents on the dative or covalent character of adducts of some simple "enium" ions with PMe3 and NMe3.



Publication Details
Authors:
Pietschnig, R.
Publisher:
Elsevier Ltd.DO - 10.1016/j.jorganchem.2007.03.045
Publication year:
2007
Journal:
Journal of Organometallic Chemistry
Pages range:
3363-3369
Volume number:
692
Start page:
3363
End page:
3369
ISSN:
0022-328X

Abstract
The charge distribution, mol. structure and bond cleavage of formal donor adducts of phosphenium, arsenium, and the isolobal selenenyl cations with trimethylphosphine and trimethylamine have been explored by quantum chem. methods on Hartree-Fock, DFT and MP2 level. According to our results, adducts of Me substituted cations are mainly covalent and therefore should be better described as phosphonium or ammonium ions. Switching from Me substituted "enium" ions to their π-donor substituted analogs increases the dative character of the central bond to an extent for which a description as donor adducts of phosphenium or arsenium ions appears appropriate, while their selenium congener still remains preferentially covalent. [on SciFinder(R)]


Keywords
phosphonium arsenium selenium cation trimethylphosphine trimethylamine HF DFT MP2, pi donating dative covalent character adduct enium trimethylphosphine trimethylamine


Authors/Editors

Last updated on 2019-25-07 at 16:02

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