NMR spectroscopy studies of hydrogen bonding

Hydrogen bonding is a fundamental interaction shaping the structure, dynamics, and function of chemical and biological systems. Nuclear magnetic resonance (NMR) spectroscopy provides unique capabilities for probing hydrogen bonds at atomic resolution, offering insights into their geometry, energetics, and dynamics across diverse environments. This review highlights recent advances in NMR approaches to hydrogen bonding, including solution- and solid-state methods, isotope labeling, dynamic nuclear polarization, and integrated applications with computational modeling. Selected examples spanning biomacromolecules, pharmaceuticals, and inorganic complexes and materials illustrate the broad scope of NMR in detecting, characterizing, and quantifying hydrogen bonds. Together, these studies demonstrate how continuous methodological innovations in NMR are extending its application to increasingly complex systems, making it an indispensable tool for understanding hydrogen bonding in chemistry and biology. • Advances in solution and solid-state NMR expand H-bond characterization. • Innovative NMR tools expand studies to larger and more complex systems. • NMR combined with computation links H-bond structure, energetics, dynamics. • Applications span biomolecules, pharmaceuticals, and inorganic materials.