Surface‐grafted lanthanoid complexes of the Keggin-type heteropolyoxometallates: a hydrogen evolution reactivity, structural and computational investigation
Publish place: 21th Iranian Inorganic Chemistry Conference
Publish Year: 1398
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
IICC21_003
تاریخ نمایه سازی: 5 آذر 1398
Abstract:
The hydrothermal syntheses of some inorganic–organic hybrids based on polyoxometallates, is surveyed. All compounds have been characterized using some physico–chemical approaches and single–crystal X–ray diffraction methods. Structural characterization by single–crystal X–ray diffraction reveals that these compounds consist of Keggin–type polyoxometallates, where a single {M3O13} triad is decorated with a trinuclear Ln complex. Moreover, the decorated polyanions are involved in a series of intermolecular interactions, such as hydrogen bonds and anion–π interactions, resulting in three–dimensional supramolecular architectures. Density functional theory (DFT) studies were conducted to support these intermolecular interactions in the hybrids, and have been rationalized using molecular electrostatic potential (MEP) surface calculations. We reported the first examples of hydrogen evolution reactivity (HER) of lanthanide-functionalized Keggin-based polyoxotungstates under photochemical and electrochemical conditions.
Authors
Masoud Mirzaei
Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran