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Solid‐State 17 O NMR Reveals Hydrogen‐Bonding Energetics: Not All Low‐Barrier Hydrogen Bonds Are Strong
Author(s) -
Lu Jiasheng,
Hung Ivan,
Brinkmann Andreas,
Gan Zhehong,
Kong Xianqi,
Wu Gang
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201700488
Subject(s) - hydrogen bond , chemistry , nuclear magnetic resonance spectroscopy , enthalpy , crystallography , solid state nuclear magnetic resonance , hydrogen , carbon 13 nmr satellite , deuterium nmr , spectroscopy , fluorine 19 nmr , molecule , stereochemistry , nuclear magnetic resonance , organic chemistry , thermodynamics , physics , quantum mechanics
While NMR and IR spectroscopic signatures and structural characteristics of low‐barrier hydrogen bond (LBHB) formation are well documented in the literature, direct measurement of the LBHB energy is difficult. Here, we show that solid‐state 17 O NMR spectroscopy can provide unique information about the energy required to break a LBHB. Our solid‐state 17 O NMR data show that the HB enthalpy of the O⋅⋅⋅H⋅⋅⋅N LBHB formed in crystalline nicotinic acid is only 7.7±0.5 kcal mol −1 , suggesting that not all LBHBs are particularly strong.