主题：请教高手：怎样检测样品中的氢键？

原文由 ppkk 发表:
变温可以么？
分子间和分子内氢键有差别么？

NMR研究分子间和分子内氢键的工作比较多的，查查文献吧.先给你个基本参考:
http://www.lsbu.ac.uk/water/hbond.html
Hydrogen Bonding in Water
 
Hydrogen bonding occurs when an atom of hydrogen is attracted by rather strong forces to two atoms instead of only one, so that it may be considered to be acting as a bond between them [99].h Typically this occurs where the partially positively charged hydrogen atom lies between partially negatively charged oxygen and nitrogen atoms, but is also found elsewhere, such as between fluorine atoms in HF2- and between water and the smaller halide ions F-, Cl- and Br- (e.g. HO-H····Br-, [178]; the strength of hydrogen bonding reducing as the halide radius increases), and to a much smaller extent to I- [190]. In theoretical studies, strong hydrogen bonds even occur to the hydrogen atoms in metal hydrides (e.g. LiH····HF; [217]). In water the hydrogen atom is covalently attached to the oxygen of a water molecule (about 492 kJ mol-1 [350]) but has (optimally) an additional attraction (about 23.3 kJ mol-1a1 [168]; almost 5 x the average thermal collision fluctuation at 25°C)a2 to a neighboring oxygen atom of another water molecule that is far greater than any included van der Waals interactioni. Formation of hydrogen bonds between water molecules gives rise to large, but mostly compensating, energetic changes in enthalpy (becoming more negative) and entropy (becoming less positive). Both changes are particularly large, based by per-mass or per-volume basis, due to the small size of the water molecule. This enthalpy-entropy compensation is almost complete, however, and results in very small extra enthalpic or enthalpic effects considerably influencing aqueous systems.

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NMR studies of hydrogen bonding interactions with secondary amide ...
http://www.nd.edu/~bsmith3/pdf/JPOC2001.pdf