Abstract:Recent years have seen many specific applications of polyhalide ionic liquids (ILs) such as oxidizing solvents for metals and alloys, immersion fluids for optical mineralogy, and electrolyte components for dye-sensitized solar cells. In this work, interhalogen interactions in a set of polyhalide ILs composed of polyhalide anions, [X3]−, [X5]− and [X7]− (X = I or Br), with two typical cations, tetramethylammonium [NMe4]+ and 1,3-dimethylimidazolium [DMIM]+, were thoroughly studied from a computational point of … Show more
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