A Self-Assembled Fluoride鈥揥ater Cyclic Cluster of [F(H2O)]44鈥?/sup> in a Molecular Box
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- 作者：Md. Alamgir Hossain ; Musabbir A. Saeed ; Avijit Pramanik ; Bryan M. Wong ; Syed A. Haque ; Douglas R. Powell
- 刊名：The Journal of the American Chemical Society
- 出版年：2012
- 出版时间：July 25, 2012
- 年：2012
- 卷：134
- 期：29
- 页码：11892-11895
- 全文大小：273K
- 年卷期：v.134,no.29(July 25, 2012)
- ISSN：1520-5126
文摘
We present an unprecedented fluoride鈥搘ater cyclic cluster of [F(H2O)]44鈥?/sup> assembled in a cuboid molecular box formed by two large macrocycles. Structural characterization reveals that [F(H2O)]44鈥?/sup> is assembled by strong H-bonding interactions [OH路路路F = 2.684(3)鈥?.724(3) 脜], where a fluoride anion plays the topological role of a water molecule in the classical cyclic water octamer. The interaction of fluoride was further confirmed by 19F NMR and 1H NMR spectroscopies, indicating the encapsulation of the anionic species within the cavity in solution. High-level DFT calculations and Bader topological analyses fully support the crystallographic results, demonstrating that the bonding arrangement in the fluoride鈥搘ater cluster arises from the unique geometry of the host.