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Six‐Coordinate Group 13 Complexes: The Role of d Orbitals and Electron‐Rich Multi‐Center Bonding
Author(s) -
Goesten Maarten G.,
Fonseca Guerra Célia,
Kapteijn Freek,
Gascon Jorge,
Bickelhaupt F. Matthias
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201504864
Subject(s) - hypervalent molecule , group (periodic table) , main group element , atomic orbital , chemistry , crystallography , center (category theory) , molecular orbital , electron , covalent bond , transition metal , computational chemistry , chemical physics , molecule , physics , quantum mechanics , biochemistry , organic chemistry , reagent , catalysis
Bonding in six‐coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition‐metal analogues. We herein demonstrate through sophisticated electronic‐structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron‐rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.