[P4(CpAl)6]: A Compound with an Unusual P4Al6 Cage Structure

Two face‐sharing Al4P4 cubes, which lack two P atoms at the corners—this is the (idealized) framework of the title compound in the crystal. According to calculations, the isomer with adamantane structure is less stable by 30 to 80 kJ mol−1. As a result of quantum mechanical calculations on the model...

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Veröffentlicht in:	Angewandte Chemie (International ed.) 1994-02, Vol.33 (2), p.199-200
Hauptverfasser:	Dohmeier, Carsten, Schnöckel, Hansgeorg, Robl, Christian, Schneider, Uwe, Ahlrichs, Reinhart
Format:	Artikel
Sprache:	eng
Schlagworte:	Al, ga, in, tl, zn, cd, hg derivatives Chemistry Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Organic chemistry Organic compounds Organometalloidal and organometallic compounds Physics Preparations and properties Structure of solids and liquids crystallography Structure of specific crystalline solids
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Beschreibung
Zusammenfassung:	Two face‐sharing Al4P4 cubes, which lack two P atoms at the corners—this is the (idealized) framework of the title compound in the crystal. According to calculations, the isomer with adamantane structure is less stable by 30 to 80 kJ mol−1. As a result of quantum mechanical calculations on the model [P4(CpAl)6], [P4(Cp*Al)6] can be characterized as an electron‐deficient compound that is stabilized by considerable ionic bonding contributions.
ISSN:	0570-0833 1521-3773
DOI:	10.1002/anie.199401991