[Al t Bu]       −    6    : EPR Spectroscopic Evidence and Ab Initio Calculations | Zendy

Dohmeier Carsten | Zendy; Mocker Mario | Zendy; Schnöckel Hansgeorg | Zendy; Lötz Albert | Zendy; Schneider Uwe | Zendy; Ahlrichs Reinhart | Zendy

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[Al t Bu] − 6 : EPR Spectroscopic Evidence and Ab Initio Calculations

Author(s) -

Dohmeier Carsten,

Mocker Mario,

Schnöckel Hansgeorg,

Lötz Albert,

Schneider Uwe,

Ahlrichs Reinhart

Publication year - 1993

Publication title -

angewandte chemie international edition in english

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 0570-0833

DOI - 10.1002/anie.199314281

Subject(s) - electron paramagnetic resonance , ab initio , octahedron , ab initio quantum chemistry methods , symmetry (geometry) , polyhedron , crystallography , ion , chemistry , computational chemistry , molecular physics , nuclear magnetic resonance , physics , crystal structure , molecule , mathematics , geometry , organic chemistry

An aluminum polyhedron with six equivalent Al atoms occurs in the radical anion [Al t Bu] − 6according to the EPR spectrum. Ab initio calculations reveal that the Al framework has a distorted octahedral structure with D 3d symmetry (picture shown on the right).

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