C-F...HO hydrogen bond in 8-fluoro-4-methyl-1-naphthol
C-F...HO hydrogen bond in 8-fluoro-4-methyl-1-naphthol
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DOI：
10.1016/j.jfluchem.2009.05.004
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发表时间：
2009-07-01
影响因子：
1.9
通讯作者：
Iwanaga, Tetsuo
中科院分区：
文献类型：
--
作者：
Takemura, Hiroyuki;Ueda, Risako;Iwanaga, Tetsuo
8-氟-4-甲基-1-萘酚在晶体中形成分子间分叉的HB，OH中心点中心点（F，HO）。这是完全相反的从头计算的报告结果。与此相反，在溶液中的分子内氢键被证实的H-1，C-13，和F-19 NMR光谱。(C)2009 Elsevier B. V.保留所有权利。
The 8-fluoro-4-methyl-1-naphthol forms the intermolecular bifurcated HB, OH center dot center dot center dot(F, HO) in the crystal. This is quite contrasting to the reported results of the ab initio calculations. On the contrary, the intramolecular hydrogen bond in solution was confirmed by H-1, C-13, and F-19 NMR spectra. (C) 2009 Elsevier B.V. All rights reserved.