Aufsatz in einer Fachzeitschrift
Effect of π-donating substituents on the dative or covalent character of adducts of some simple "enium" ions with PMe3 and NMe3.



Details zur Publikation
Autor(inn)en:
Pietschnig, R.
Verlag:
Elsevier Ltd.DO - 10.1016/j.jorganchem.2007.03.045
Publikationsjahr:
2007
Zeitschrift:
Journal of Organometallic Chemistry
Seitenbereich:
3363-3369
Jahrgang/Band:
692
Erste Seite:
3363
Letzte Seite:
3369
ISSN:
0022-328X

Zusammenfassung, 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)]


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


Autor(inn)en / Herausgeber(innen)

Zuletzt aktualisiert 2019-25-07 um 16:02