Intramolecular Electronic Structural Rearrangements in Vanadium, Molybdenum, and Rhenium Oxo- and Thiometallates
JOURNAL OF STRUCTURAL CHEMISTRY(2023)
摘要
Reaction pathways are found for electronic structural rearrangements in thiometallates [ M S 4 ] n – ( M = V, n = 3; Mo, n = 2; Re, n = 1), which do not contradict the hypothesis about the possible electron transfer from sulfide ions S 2– to metal centers with a corresponding decrease in metal atomic charges and the formation of disulfide ions of the (S 2 ) 2– type. The obtained results are compared with similar results for the same series of oxometallates [ M O 4 ] n – .
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关键词
thiometallates,oxometallates,transition metals,intramolecular reactions,density functional theory,quantum chemical topological methods.
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