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The Nature of β‐Agostic Bonding in Late‐Transition‐Metal Alkyl Complexes
Author(s) -
Scherer Wolfgang,
Herz Verena,
Brück Andreas,
Hauf Christoph,
Reiner Florian,
Altmannshofer Sandra,
Leusser Dirk,
Stalke Dietmar
Publication year - 2011
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.201006065
Subject(s) - agostic interaction , delocalized electron , alkyl , transition metal , chemistry , substitution (logic) , electron delocalization , transition (genetics) , computational chemistry , crystallography , metal , organic chemistry , linguistics , philosophy , catalysis , biochemistry , gene
Experimental charge density analyses reveal significant differences between the nature of β‐agostic bonding in early‐ and late‐transition‐metal (M) complexes. For d n ‐configurated M alkyl compounds, the β‐agostic interaction can be described by a modified Dewar–Chatt–Duncanson model with three σ/π bonding components, whereas one delocalized orbital is sufficient to account for the hyperconjugative stabilization in agostic d 0 systems.
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