Nuclear Quadrupole Resonance and Bonding in Solid Layer Type Metal Halides

摘要: Pure nuclear quadrupole resonance spectra have been reported for halogen nuclei in a number of metal halides crystallizing layer structures the CdI2 or related types. Because extreme smallness coupling constants, particularly case dihalides, possible appropriateness purely ionic model to account electric field gradients has investigated. Detailed calculations ion‐lattice gradient made compounds representing several types infinite‐layer structure. In no is due alone sufficient explain observed interactions. fact, comparison with experimental data suggests that empirical values antishielding factor γ∞ about 3–5 times smaller than theoretical are appropriate contribution coupling. Covalent bonding between and layers involving only small departures from pure p‐bond configurations at halogens can results. Taking into causes general increase s hybridization needed covalent bond model.