Synthesis of new mono and bis-triazol derivativescomputational chemistry applications

1,2,3-triazole compounds play an important role in biological systems. They are very important compounds that can be applied in many areas; in pharmaceutical chemistry, anti-HIV, antiallergic, antifungal and antimicrobial, chemosensors, material and polymer chemistry, and in many other areas. Tek kapmultistep synthetic methods in organic chemistry (where multiple reactions take place in a single reactor) have gained great importance because they reduce the time and cost in complex molecule synthesis. 'Click' chemistry incorporates reliable, fast and highly selective reactions. Synthesis of 1,4-disubstituted 1,2,3-triazoles by the 1,3-dipolar cyclisation of azides and alkynes with copper(I) -catalyst is the most common. In this study, new mono and bis triazole derivatives were synthesized and metal coordination characteristics were investigated by using Gaussian09 package program. As a result, it was observed that bis triazoles having more coordination points than mono triazoles form stronger complexes. Computational calculations were performed using the B3LYP/LanL2DZ level of theory.