Solid-state nuclear magnetic resonance as a tool for investigating the halogen bond

Abstract

We provide a review of the state-of-the-art of solid-state nuclear magnetic resonance (SSNMR) spectroscopy applied to the study of the halogen bond interaction. The SSNMR approach yields a wealth of information complementary or alternative to X-ray crystallography, thus providing similar, yet different insight into the halogen bond. Indeed, SSNMR parameters can be used to probe powders at both the molecular and crystal structure level, without needing highly crystalline samples or special preparations. This Highlight article serves as a tutorial example of the SSNMR strategies to characterize the halogen bond, and is based on a comprehensive literature survey and the discussion of relevant NMR parameters. Unresolved problems and future directions in the field are also summarized.