Abstract
From the perturbation formulas for g factors for an orthorhombically compressed octahedral 3d9 group, g factors, and local structures for the [Cu(en)3]2+ groups in Cu(en)3SO4 and Cu(en)3Cu(CN)3 powders are theoretically investigated. The local structure of Cu2+ in Cu(en)3Cu(CN)3 is evaluated by analyzing the experimental g factors and found to exhibit moderate axial compression ÎZ (â0.018 A) and planar bond length variation ÎR (â0.015 A) related to an ideal octahedron due to the JahnâTeller effect. The larger experimental axial anisotropy Îg (= (gx + gy)/2 â gz) of Cu(en)3SO4 than Cu(en)3Cu(CN)3 is mainly ascribed to the larger ÎZ (â0.053 A) in the former. The calculated g factors for both systems show reasonable agreement with experiment by including the charge transfer (CT) contributions to gz, which have the same sign and much larger magnitude compared to the conventional crystal-field ones and should be included.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.