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Electronic Structure of Chalcogen Dichlorides ECl2 (E = S,Se, Te)
Authors:Shpak  A P  Uvarov  V N  Pekhn'o  V I  Volkov  S V  Urubkov  I V  Aleksandrova  N G  Filippov  A S
Institution:(1) V. G. Kurdyumov Institute of Metal Physics, National Academy of Sciences of Ukraine, 36 Akademika Vernads'kogo Prospekt, 03680 Kyiv-142, Ukraine;(2) V. I. Vernadskii Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, 32/34 Akademika Palladina Prospekt, 03680 Kyiv-142, Ukraine
Abstract:The electronic structure of the molecules of chalcogen dichlorides ECl2 (E = S, Se, Te) was investigated by X-ray spectroscopy and quantum-chemical calculations in the Xagr(SW) approximation. The sequence of the energy levels in the ECl2 molecules was determined. The nature of the bonding in the various orbitals of the molecules in the SCl2rarrSeCl2rarrTeCl2 series was established. The reasons for the reduced chemical stability of the SeCl2 molecule and the nonexistence of the TeCl2 molecule in the individual state are indicated.
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