B. Wrzosek, Janusz Cukras, M. Dobrowolski
Apr 21, 2017
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Influential Citations
9
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Journal
Journal of Physical Chemistry C
Abstract
Triazole compounds have a wide range of applications in the biomedical field, and their adlayers on metal surfaces are used as anticorrosion agents and to build nanosensors and nanocatalysts. The knowledge of the chemical state of triazole derivatives and the structure of adlayers in different conditions is necessary for controlling the properties of applied systems. In this work, using different methods, chemical states of 3-sulfur derivatives of 1,2,4-triazole (TS) in different conditions have been established. The structure of this compound in the solid state was studied by X-ray diffraction, IR and Raman spectroscopy, and DFT calculations that indicated dimerization of the TS molecules resulting in the formation of 3,3′-disulfide-1,2-di(1H-1,2,4-triazol-3-yl)disulfane. The chemical states of TS in solutions at varying pH were determined with the help of Raman spectroscopy supported by H/D isotopic exchange experiments and DFT calculations. These results were useful in establishing also the chemical st...