Chemical bonds in titanium boronitrides

Results of quantum-chemical MOLCAO calculations of electron structure and chemical bond for titanium boronitrides and ternary alloy Ti-N-B are presented. It is established that with the introduction of boron atoms into titanium nitride a considerable rebuilding of both chemical binding type and separate interparticle interactions takes place. At that, interactions of metal atoms with one of introduction elements (Ti-B) and also between introduction elements (B-B) become the determining ones. Differences in chemical binding in solid solutions (carbonitrides, oxycarbides) and in the system Ti-N-B are discussed