Chemical shifts and effective charges in ternary and complex systems

Publisher Website
Google Scholar
Abstract
Effective charges, q, in ternary and complex systems are estimated. The semiempirical method of Suchet (1965) is extended to ternary compounds such as manganites and ferrites while the semi-experimental method of Gianturco and Coulson (1968) is applied to complex Co-Zn ferrites and cobalt complexes. An attempt is made to obtain correlation between the estimated values of q and the measured chemical shifts, Delta E. It is found that although the effective charge governs the chemical shift, its magnitude is profoundly affected by the cation distribution in spinels. A comparison of the values of q obtained from the Suchet's method with those estimated from Gianturco and Coulson's method for the same family of compounds shows good agreement.