1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface: A DFT study was written by Saavedra-Torres, Mario;Escobar, Carlos A.;Ocayo, Fernanda;Tielens, Frederik;Santos, Juan C.. And the article was included in Chemical Physics Letters in 2017.Application of 1614-12-6 This article mentions the following:
In the context of copper corrosion passivation, the adsorption of benzotriazole (BTAH) and its derivatives: 5-Me, 5-Amine, 1-Amine, 1-Me on a Cu(1 1 1) surface was investigated using periodic d. functional (DFT) calculations The results were contrasted with exptl. ASTM protocols. Adsorption of BTAH and radical (BTA·) forms, as well as solvent effect were evaluated. The Cu-N interaction provides stable complexes with adsorption over top sites. Radical forms yielded more stable complex. Their adsorption energies correlate with the substituent position and electronic features. A strong interaction was obtained when the charge transfer occurred from surface to adsorbate. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Application of 1614-12-6).
1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.Application of 1614-12-6
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics