Nuclear Quadrupole Coupling Constants and Charge Distributions in Ionic Crystals of theagr;hyphen;NaFeO2Type

摘要

The23Na nuclear quadrupole coupling constant is determined for 10 compounds of theagr;hyphen;NaFeO2type, namely, NaInO2, NaInS2, NaInSe2, NaCrO2, NaCrS2, NaCrSe2, NaTiO2, NaTlO2, NaScO2, and NaAlO2. The electric field gradient is calculated on the basis of a pointhyphen;charge model, and charge distributions are obtained for the complex ions. The charges on the metal ions appear to correlate with the average electronegativity difference between the metal and chalcogen.