About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
The Journal of Chemical Physics
Paper
Covalency and electronic structure of Cu2+ in ZnF2 by EPR
Abstract
With the aid of computer techniques, including a laboratory automation system, accurate computer simulation, and an accurate calculation method, the EPR spectrum of copper doped in zinc fluoride has been analyzed. The observed g values led by a new method to a determination of the coefficients of the Kramer's doublet. Copper hyperfine structure verified these values and fluorine transferred hyperfine structure gave a measure of covalency. The fractional orbital occupation showed predominantly σ bonding which is similar to other reported transition metal ions in ionic insulating crystals. Orbital reduction, though no doubt present, makes only an insignificant and undetectable contribution.