S V Vorobyev, A A Barkovskii and V N Koshelev

National University of Oil and Gas “Gubkin University”, 65 Leninsky Prospekt, Moscow, 119991, Russia

Abstract

In this work the method of the synthesis of C-substituted benzotriazoles is reported. Several target compounds were synthesized from unsubstituted benzotriazole by the diazotation reaction. Quantum-chemical calculations of basic electronic properties of the studied molecules were performed. It was shown, that introducing of halogen atom or thiocyano-group decreases the energies of frontier orbitals.