As we know, differences in coordination environment of transition metal atoms may lead to distinct types of orbital splitting, and thus distinct electronic distributions on molecular orbitals.
(e.g. octahedral and square pyramidal)
This ligand field theory (LFT) is usually used in a context that a transition metal ion is complexed with ligands like CO, CN, NH3, H2O, etc.
What I want to know is: does LFT still work for MOx polyhedra in an inorganic solid material? In which besides MOx polyhedra there are other polyhedra or ions constituting the compound.
Like in Li2VSiO5, V atoms lie in VO5 square pyramids, Si atoms lie in SiO4 tetrahedra (connected to VO5 by corner sharing). Would the electronic distribution of such compound be different from a compound in which V atoms lie at octahedra centres?
Thanks a lot!
Yahia Z Hamada
Dear Prof. Yahia,
Thanks a lot for your response! Now I have a more complete understanding over field theories.
The reason why I am questioning whether MOx polyhedra can be discussed under ligand field theories, is that most cases I read during research of LFT are talking about transition metal complexes (e.g. [M(H2O)]n+, [M(CN)6]n-, [M(NH3)6]n+).
So I am doubting if oxygen atoms can be treated as ligands as those cases. One step further, excuse me, how can we determine the number of lone pairs on oxygen atoms? It might be quite indirect if we have other atom groups connecting to them (VO5 & SiO4)?
Regards and thanks,
Yifan
Sikandar Khan
Thanks for your answer!
Glad to know LFT still works in this case. However, I suppose the exact number of electrons provided by the ligands (oxygen atoms) would then be ambiguous to know? Since oxygen atoms are further connected to SiO4 tetrahedra and further TiO5 square pyramids.
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