A density functional study on the efficiencies of 2-mercaptobenzoxazole and its derivatives as chelating agents in flotation processes was written by Yekeler, Meftuni;Yekeler, Huelya. And the article was included in Colloids and Surfaces, A: Physicochemical and Engineering Aspects in 2006.Electric Literature of C8H7NOS This article mentions the following:
By using the d. functional theory (DFT), we calculated some properties such as the energies of HOMO orbitals and the at. charges which are related to the reactive behavior of 2-mercaptobenzoxazole (MBO) and its Me and methoxy derivatives The results of the calculations indicated that the efficiencies of MBO and its derivatives depend on the investigated parameters, and 2-mercaptobenzothiazole (MBT) is better than MBO as a collector agent. Electron donating groups at the 6-position of MBO provided the best efficiency for MBO mol. The introduction of the Me group to any position of the benzene ring makes also MBO more powerful chelating agent by increasing the at. charges on the N and S atoms. The theor. obtained results are consistent with the exptl. data reported in the literature. In the experiment, the researchers used many compounds, for example, 6-Methyl-1,3-benzoxazole-2-thiol (cas: 23417-29-0Electric Literature of C8H7NOS).
6-Methyl-1,3-benzoxazole-2-thiol (cas: 23417-29-0) belongs to benzoxazole derivatives. Benzoxazole nucleus is one of the most important heterocyclic compounds exhibiting remarkable pharmacological activities. It is found within the chemical structures of pharmaceutical drugs such as flunoxaprofen and tafamidis.Electric Literature of C8H7NOS
Referemce:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem