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  Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes

Flügge, S., Anoop, A., Goddard, R., Thiel, W., & Fürstner, A. (2009). Structure and Bonding in Neutral and Cationic 14-Electron Gold Alkyne π Complexes. Chemistry – A European Journal, 15(34), 8558-8565. doi:10.1002/chem.200901062.

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[264]SI.pdf (Supplementary material), 652KB
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2009
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Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim
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 Creators:
Flügge, Susanne1, Author              
Anoop, Anakuthil2, Author              
Goddard, Richard3, Author              
Thiel, Walter2, Author              
Fürstner, Alois1, Author              
Affiliations:
1Research Department Fürstner, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445584              
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
3Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              

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Free keywords: alkyne ligands; alkynes; carbene ligands; density functional calculations; gold
 Abstract: Cyclododecyne (5) as a prototype unstrained alkyne was coordinated to either the neutral [AuCl] fragment or to two different cationic [Au(NHC)]+ entities (NHC=N-heterocyclic carbene), and the resulting complexes 6, 8, and 10 were characterized by X-ray crystallography and NMR spectroscopy. Since the structure of cyclododecyne in the solid state could also be obtained after in situ crystallization, a comparison was possible that provides insights into structural changes imposed on the alkyne by the different gold fragments. These data are interpreted on the basis of a DFT analysis of the bonding situation in the individual compounds, which provides insights into the very first elementary step common to many gold-catalyzed transformations.

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Language(s): eng - English
 Dates: 2009-04-222009-06-302009-08-24
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 461187
DOI: 10.1002/chem.200901062
ISI: 000269389700026
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: - Volume / Issue: 15 (34) Sequence Number: - Start / End Page: 8558 - 8565 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058