A Stable Silylene with a σ2, π- Butadiene Ligand.
J Am Chem Soc
; 139(20): 7117-7123, 2017 05 24.
Article
em En
| MEDLINE
| ID: mdl-28467849
ABSTRACT
The synthesis of a new type of silylene 1 is reported. It adopts a bicyclo[2.1.1]hexene structure in which a hafnocene group is incorporated. The silylene is stabilized by homoconjugation with the remote CâC double bond. This is indicated by its highly shielded 29Si NMR chemical shift (δ29Si = -155) and is firmly established by its experimental molecular structure from XRD analysis. The results of a detailed bonding analysis based on DFT calculations suggest for model compounds of silylene 1 and for its heavier germanium, tin, and lead homologues uniformly electronic structures of carbene analogues that are stabilized by homoconjugation. This stabilization mode is equivalent to a σ2, π-coordination of the butadiene ligand to the element atom as it is typical for zirconocene or hafnocene butadiene complexes.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2017
Tipo de documento:
Article