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Snapshots of the AlAl σ‐Bond Formation Starting from {AlR 2 } Units: Experimental and Computational Observations
Author(s) -
Henke Patrick,
Pankewitz Tobias,
Klopper Wim,
Breher Frank,
Schnöckel Hansgeorg
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200901754
Subject(s) - atom (system on chip) , crystallography , quantum chemical , unpaired electron , chemistry , electron , atomic physics , computational chemistry , molecule , physics , quantum mechanics , organic chemistry , computer science , embedded system
The approach of two atoms with an unpaired electron each results in the formation of a σ bond. Snapshots of the primary step with a large atom‐to‐atom distance and a parallel spin of both electrons and of the final product, consisting of a butterfly structure with a short AlAl σ bond, have been identified for a [R 2 PAl(PR 2 )AlPR 2 ] compound using quantum chemical calculations and X‐ray crystallography (see scheme).