Nuclear Quadrupole Effects and Electronic Structure of Molecules in the Solid State

Abstract

Measured nuclear quadrupole effects in solids are discussed, compared with nuclear quadrupole coupling in gases, and correlated to some extent with molecular structure in the solid state. The iodine crystal affords a good example of intermolecular interactions in the solid state. In this crystal, nuclear quadrupole effects combined with crystallographic information show two intermolecular covalent bonds per atom, each of about 9 percent importance.