Electron paramagnetic resonance of Cu2+ in dibarium zinc formate tetrahydrate
- 1 January 1968
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 878-884
- https://doi.org/10.1039/j19680000878
Abstract
X-Band e.p.r. spectra of Cu2+-doped single crystals of fully deuteriated dibarium zinc formate tetrahydrate, Ba2Zn(DCO2)6,4D2O, have been investigated at 77°K. Spectra of magnetically dilute single crystals (Cu : Zn = 1 : 1000) have been analysed in terms of an axially symmetric spin Hamiltonian with the following parameters: g∥= 2·391 ± 0·003; g⊥= 2·079 ± 0·003; A(63Cu)=±0·0130 ± 0·0001 cm.–1, B(63Cu)=∓0·0020 ± 0·0001 cm.–1; Q′(63Cu)=∓0·00093 ± 0·00006 cm.–1; A(65Cu)=±0·0139 ± 0·0001 cm.–1; B(65Cu)=∓0·0020 ± 0·0001 cm.–1. Superhyperfine interaction with 13C present in labelled formate ligands has been detected and the isotropic contribution to this coupling found to be 0·00068 ± 0·00001 cm.–1. The spin Hamiltonian parameters have been equated to the atomic orbital coefficients in some of the molecular orbitals involved in bonding in the complex ion [Cu(DCO2)42D2O]2– in the paramagnetic species encountered in this compound. Spin Hamiltonian parameters and electron distributions in this ion are compared with those deduced for the complex ions [Cu(DCO2)6]4– and [Cu(DCO2)2,4D2O] present in deuteriated cupric formate dihydrate. Spin polarisation in [Cu(DCO2)42D2O]2– is discussed.Keywords
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