Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State
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- 作者：Christian Kleeberg ; Andrew G. Crawford ; Andrei S. Batsanov ; Paul Hodgkinson ; David C. Apperley ; Man Sing Cheung ; Zhenyang Lin ; Todd B. Marder
- 刊名：The Journal of Organic Chemistry
- 出版年：2012
- 出版时间：January 6, 2012
- 年：2012
- 卷：77
- 期：1
- 页码：785-789
- 全文大小：310K
- 年卷期：v.77,no.1(January 6, 2012)
- ISSN：1520-6904
文摘
The Lewis base adduct of B2pin2 and the NHC (1,3-bis(cyclohexyl)imidazol-2-ylidene), which was proposed to act as a source of nucleophilic boryl groups in the 尾-borylation of 伪,尾-unsaturated ketones, has been isolated, and its solid state structure and solution behavior was studied. In solution, the binding is weak, and NMR spectroscopy reveals a rapid exchange of the NHC between the two boron centers. DFT calculations reveal that the exchange involves dissociation and reassociation of NHC rather than an intramolecular process.