| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394694 | Computational and Theoretical Chemistry | 2012 | 5 Pages |
Abstract
⺠EPR parameters and local structures are analyzed for Cu2+ centers in NH4X (X = Cl, Br). ⺠The related molecular orbital coefficients are quantitatively determined from the cluster approach. ⺠Ligand contributions are included from the cluster approach due to strong covalency. ⺠Ligand octahedra experience local bond length variations of the Jahn-Teller nature.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Investigations on the spin Hamiltonian parameters and the local structures for the orthorhombic [CuX4(H2O)2]2â centers in NH4X (XÂ =Â Cl, Br)](/preview/png/5394694.png "First Page Preview: Investigations on the spin Hamiltonian parameters and the local structures for the orthorhombic [CuX4(H2O)2]2â centers in NH4X (XÂ =Â Cl, Br)")
Authors
Hua-Ming Zhang, Shao-Yi Wu, Min-Quan Kuang,