期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 15, 期 34, 页码 8558-8565出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.200901062
关键词
alkyne ligands; alkynes; carbene ligands; density functional calculations; gold
资金
- MPG
- Fonds der Chemischen Industrie
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据