Abstract
The title compound, [C6H6N3][ReO4], crystallizes in the monoclinic space group P21/c (a = 12.854(2) Å; b = 4.9121(8) Å; c = 14.819(2) Å). The solid-state structure of the compound is stabilized by a series of hydrogen bonds. The solubility of [C6H6N3][ReO4] was measured in H2O, CH3OH (MeOH), and HCl (0.5 M and 6 M). Nuclear magnetic resonance measurements (1H NMR and 13C NMR) were performed, and results were consistent with the presence of the organic cation. The UV–visible spectrum shows a solvent dependency which DFT simulations indicate arise from which benzotriazole (BTA) species are present in solution (i. e., [C6H4N3]− in H2O, C6H5N3 in MeOH and [C6H6N3]+ in 5 M HCl).
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