期刊
DALTON TRANSACTIONS
卷 41, 期 19, 页码 5995-6002出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2dt12435a
关键词
-
资金
- German Science Foundation (DFG) [Vo829/6-1, SCHM 1389/5-1]
The synthesis of a structurally optimized tribenzotriquinacene receptor 9 is described, which is extended by centrohexaindane moieties to give rise to a half-round concave ball bearing, with optimum shape complementarity towards C-60 fullerene. Spectroscopic investigations reveal that this novel host forms a 1 : 1 host-guest complex with C-60 with a complex stability constant of K-1 = 14 550 +/- 867 M-1, which is considerably higher than those reported for structurally related tribenzotriquinacene hosts reported previously. Both the suppression for binding of a second receptor (i.e. formation of a 2 : 1 host-guest complex) as well as the increase of complex stability of the 1 : 1 complex can be rationalized in terms of multiple additive van der Waals and p-p interactions between C-60 and the aromatic groups of the receptor, as revealed by DFT + D and force-field calculations. Combining results from spectroscopic and theoretical investigations leads to predictions in light of future receptor designs, which - apart from shape complementarity - will have to consider an optimized electronic match (i.e. partial charge transfer) between the receptor and the fullerene host.
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