XPS study of the electronic structure of heterometallic complexes Fe2MO(Piv)6(HPiv)3 (M = Ni, Co)
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Heterometallic complexes Fe2MO(Piv)6(HPiv)3 (M = Ni, Co) have been studied by XPS. The complexes are identified as high-spin complexes with metal atoms in oxidation states M(II) and M(III). A change in the ligand environment of metal atoms has an effect on both the energetic state of metal atoms and the XPS pattern. The substitution of a Co atom for the nickel atom in the heterometallic complexes changes the XPS pattern of iron and their magnetic state. For the Fe2MO(Piv)6(HPiv)3 complexes, quantum-chemical calculations have been performed at the density functional theory (DFT) level. In combination with XPS and magnetochemistry data, the quantum-chemical calculation demonstrates that the Fe, Ni, and Co atoms in the trinuclear complexes are in the high-spin local state and that the ground state is dominated by antiferromagnetic exchange interaction.
KeywordsHigh Spin Paramagnetic Center High Spin State Nickel Atom Pivalate
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- 3.V. I. Nefedov, Koord. Khim 1, 310 (1975).Google Scholar
- 7.M. J. Frisch, et al., Gaussian 03, Revision E.1, 2003.Google Scholar
- 10.R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Univ. Press, Oxford, 1989).Google Scholar
- 11.M. A. Kiskin, I. G. Fomina, A. A. Sidorov, et al., Izv. Akad. Nauk, Ser. Khim., No. 11, 2403 (2004).Google Scholar