Hansen Poul Erik, Spanget-Larsen Jens
Department of Science and Environment, Roskilde University, Universitetsvej 1, P.O. Box 260, DK-4000 Roskilde, Denmark.
Molecules. 2017 Mar 29;22(4):552. doi: 10.3390/molecules22040552.
For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, ν, and OH chemical shifts, δ (in the latter case, after correction for ring current effects). Limits for O-H···Y systems are taken as 2800 > ν > 1800 cm, and 19 ppm > δ > 15 ppm. Recent results as well as an account of theoretical advances are presented for a series of important classes of compounds such as β-diketone enols, β-thioxoketone enols, Mannich bases, proton sponges, quinoline N-oxides and diacid anions. The O···O distance has long been used as a parameter for hydrogen bond strength in O-H···O systems. On a broad scale, a correlation between OH stretching wavenumbers and O···O distances is observed, as demonstrated experimentally as well as theoretically, but for substituted β-diketone enols this correlation is relatively weak.
在本综述中，强氢键是根据实验数据定义的，如OH伸缩波数ν和OH化学位移δ（在后一种情况下，需校正环电流效应）。O-H···Y体系的界限为2800 > ν > 1800 cm⁻¹，19 ppm > δ > 15 ppm。本文介绍了一系列重要化合物类别的最新结果以及理论进展，如β - 二酮烯醇、β - 硫代酮烯醇、曼尼希碱、质子海绵、喹啉N - 氧化物和二酸阴离子。长期以来，O···O距离一直被用作O-H···O体系中氢键强度的参数。从广义上讲，实验和理论均表明，OH伸缩波数与O···O距离之间存在相关性，但对于取代的β - 二酮烯醇，这种相关性相对较弱。
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