Preparation and Characterization of Benzotriazolium Perrhenate

Document Type

Article

Publication Date

9-9-2019

Publication Title

Inorganica Chimica Acta

First page number:

1

Last page number:

32

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, 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 species are present in solution.

Keywords

Benzotriazolium; Crystal structure; DFT simulation; NMR spectroscopy; Perrhenate

Disciplines

Inorganic Chemistry

Language

English

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