Nucleophilic Scandium Carbene Complexes

Using a geminal dianion as precursor, a nucleophilic scandium carbene complex (2) has been synthesized by salt metathesis on ScCl3(THF)3 in 52% isolated yield. The X-ray structure as well as an NBO analysis points to a double interaction between the carbon and the scandium atoms. Quantification of t...

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Published inJournal of the American Chemical Society Vol. 132; no. 38; pp. 13108 - 13110
Main Authors Fustier, Marie, Le Goff, Xavier F, Le Floch, Pascal, Mézailles, Nicolas
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 29.09.2010
Subjects
Chemical Sciences
Coordination chemistry
dianion
scandium
nucleophilic carbene
DFT
hypervalent phosphorus
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Summary:Using a geminal dianion as precursor, a nucleophilic scandium carbene complex (2) has been synthesized by salt metathesis on ScCl3(THF)3 in 52% isolated yield. The X-ray structure as well as an NBO analysis points to a double interaction between the carbon and the scandium atoms. Quantification of the electron density donation from the carbon to the metal center, from both σ and π symmetry orbitals, predicts a “nucleophilic carbene” behavior. Addition of benzophenone on complex 2 results in the formation of the expected alkene derivative and the trapping of a rare, μ3-oxo-Sc species via a “scandia-Wittig” reaction.
Bibliography:ObjectType-Article-1
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ISSN:0002-7863
1520-5126
DOI:10.1021/ja103220s