Electronic structure and luminescence of tellurium (IV) halide complexes with guanidine and caesium cations

• 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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