Charge Density Distribution in a Metallaphosphane

Charge Density Distribution in a Metallaphosphane

Two lone pairs: The metallaphosphane [Me2Al(μ‐Py)2P] contains a divalent PIII atom. Charge density investigations reveal the presence of two lone pairs at the central phosphorus atom. This result explains why the phosphorus atom in PPy2(H) can be employed in a μ‐bridging fashion to two {W(CO)5} moie...

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Veröffentlicht in:Angewandte Chemie (International ed.) 2010-03, Vol.49 (13), p.2422-2426
Hauptverfasser: Henn, Julian, Meindl, Kathrin, Oechsner, Andreas, Schwab, Gerald, Koritsanszky, Tibor, Stalke, Dietmar
Format: Artikel
Sprache:eng
Schlagworte:
aluminum
computational chemistry
donor-acceptor systems
electron density
phosphorus
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Zusammenfassung:Two lone pairs: The metallaphosphane [Me2Al(μ‐Py)2P] contains a divalent PIII atom. Charge density investigations reveal the presence of two lone pairs at the central phosphorus atom. This result explains why the phosphorus atom in PPy2(H) can be employed in a μ‐bridging fashion to two {W(CO)5} moieties in the unsupported dinuclear complex [{(OC)5W}2(μ‐P)Py2(H)], and thus behaves as a four‐electron donor.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200905470