Living Reference Work Entry

Modern Magnetic Resonance

pp 1-18

Date: Latest Version

Solid-State NMR Studies of Halogen Bonding

  • Patrick M. J. SzellAffiliated withDepartment of Chemistry and Biomolecular Sciences & Centre for Catalysis Research and Innovation, University of Ottawa
  • , David L. BryceAffiliated withDepartment of Chemistry and Biomolecular Sciences & Centre for Catalysis Research and Innovation, University of Ottawa Email author 

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 1/2H, 13C, 14/15N, 17O, 31P, 35/37Cl, 77Se, 79/81Br, and 127I. The utility of chemical shifts, J-couplings, and quadrupolar couplings is discussed in the context of examples from the literature.

Keywords

Halogen Chlorine Bromine Iodine Quadrupolar coupling Chemical shift J-coupling Non-covalent Dynamics Crystal engineering