| Autor: |
Ezzeh, C., McGarvey, B. R. |
| Zdroj: |
Journal of Chemical Physics; October 1974, Vol. 61 Issue: 7 p2675-2679, 5p |
| Abstrakt: |
The ESR of MnO42− has been studied at 4°K in single crystals of BaSeO4. The principal values of g and A tensors are gxx=1.9572, gyy=1.9633, gzz=1.9848, Axx=126.2×10−4 cm−1, Ayy=84.1×10−4 cm−1, and Azz=16.8×10−4 cm−1. The x and z axis of g and A are found to differ by 4°. It is shown that the ground state is dz2 with a 2% admixture of dx2−y2 similar to that of MnO42− in BaSO4 but different than the ground state of MnO42− in K2CrO4. It is further shown that the difference in principal x and z axes for the g and A tensors is attributable to the admixture of the dyz orbital with the dxy orbital which is estimated to be 0.03% from the angular separation of the axes. An MO analysis of the ESR data for MnO42− in BaSeO4 and BaSO4 is done which shows that the d orbitals occupied by the unpaired electron are those of a +2 charged ion. Further the analysis reveals more σ charge transfer and less π charge transfer when MnO42− replaces the smaller SO42− ion than when it substitutes for the larger SeO42− ion. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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