| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1408978 | Journal of Molecular Structure | 2016 | 9 Pages |
•Information about the MO composition of complexes is obtained on the basis of computation data.•Bands assignments of XPS spectra are carried out and interpreted.•Excited singlet and triplet states of the Cs2TeCl6 complex are classified.
The present paper continues a series of publications on the investigation of complex compounds of s2 ions and their properties. The structure of the valence levels of Cs2TeX6, (HGu)2TeCl6 complexes (where Х = Cl, Br; HGu+ – guanidinium) is examined, the orbital nature of luminescence excitation is established, and the relationship of properties with the electronic structure is determined by means of X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT).
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