| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1235967 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2011 | 5 Pages |
Abstract
⺠We study EPR parameters by including crystal-field and charge transfer mechanisms. ⺠Îg from charge transfer mechanism has opposite sign but close to crystal-field one. ⺠Charge transfer mechanism to A factor has same sign and 10% of crystal-field one. ⺠The usual idea of charge transfer mechanism negligible for D seems invalid for Îg ⺠The unpaired spin densities are calculated from the molecular orbital coefficients.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Li-Li Li, Shao-Yi Wu, Min-Quan Kuang,