Accession Number : AD0715306

Title :   Bonding and Exchange Models for Magnetic Insulators.

Descriptive Note : Final rept.,

Corporate Author : FLORIDA STATE UNIV TALLAHASSEE DEPT OF CHEMISTRY

Personal Author(s) : Garrett,Barry B.

Report Date : OCT 1970

Pagination or Media Count : 12

Abstract : Studies of the origin of the electric field gradient tensor or its equivalent, the nuclear quadrupole coupling tensor for chlorine nuclei in KCuCl3, CsCuCl3, CsNiCl3, CsCoCl3 and CsMnCl3 have been completed. The relative magnitudes of the contributions from covalent effects, lattice point charges, and induced dipoles in the lattice were determined. Charge and spin distribution estimates were obtained for the above systems, which will be used in calculations of magnetic exchange parameters. The covalency parameters from quadrupole data are in agreement with dipole hyperfine coupling data, and a new method of separating sigma and pi bonding effects was found. A correlation between free ion spin-orbit parameters, charge, and interelectron repulsion parameters for 3d transition metal ions was developed, and the extension of this correlation to molecular systems was proposed. (Author)

Descriptors :   (*CHLORIDES, *QUADRUPOLE MOMENT), PARAMAGNETIC RESONANCE, COPPER COMPOUNDS, NICKELATES, MANGANATES, COBALT COMPOUNDS, NUCLEAR SPINS, CESIUM COMPOUNDS, POTASSIUM COMPOUNDS

Subject Categories : Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE