Solid-state NMR studies of halogen bonding

Abstract

Halogen bonding is a noncovalent interaction between the electrophilic region of a halogen atom and an electron donor. Halogen bonds play important roles in various fields of research including supramolecular chemistry and crystal engineering, for instance. Solid-state nuclear magnetic resonance (SSNMR) spectroscopy is a valuable tool for probing noncovalent interactions, including halogen bonds. This article provides a brief background on halogen bonding and fundamental NMR interactions, followed by an overview of various applications of SSNMR spectroscopy to the study of halogen bonds. Nuclides of interest to date include 1/2 H, 13 C, 14/15 N, 17 O, 31 P, 35/37 Cl, 77 Se, 79/81 Br, and 127 I. The utility of chemical shifts, J-couplings, and quadrupolar couplings is discussed in the context of examples from the literature.