English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The spin Hamiltonian parameters (the g factors, the hyperfine structure constants, and the superhyperfine parameters) and the local structures for various Rh 2+  centers OI, OII, and RTAX in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 4d 7  ion in tetragonally and orthorhombically elongated octahedra. The related molecular orbital coefficients and the ligand unpaired spin densities are determined quantitatively from the cluster approach in a uniform way. The centers OI, OII (orthorhombic) or RTAX (tetragonal) are attributed to the substitutional Rh 2+  on Na +  site, associated with two, one or none next nearest neighbour cation vacancies VNa along [100] (or [010]) axis, respectively. The ligand octahedra in the orthorhombic centers OI and OII are found to suffer the relative elongations ΔZ ≈0.071 and 0.068 °A along the [001] axis due to the Jahn-Teller effect, and the intervening ligand(s) in the VNa and the Rh 2+  may undergo the inward displacements ΔX ≈ 0.001 and 0.011 A° towards Rh 2+ , respectively. As for the tetragonal center RTAX, the uncompensated [RhCl 6 ] 4−  cluster is found to experience the relative elongation ΔZ ≈ 0.067 °A along the [001] axis of the Jahn-Teller nature. The calculated spin Hamiltonian parameters based on the above local structures show good agreement with the observed values for all the centers.

Investigations on the Spin Hamiltonian Parameters and the Local Structures for Various Rh 2+ Centers in NaCl