Quantum-chenical study of N2 molecule interaction with binuclear molybdenum clathrates

The surface of potential energy of N2 molecule interaction with binuclear Mo2 clath-rate for ''spiro-form'' of the Mo2...N2 model complex is calculated. It is shown that at such N2 molecule coordination at the clathrate with effective M-M electron interactions its destruction with small energy consumption occurs: the estimated activation energy is equal approximately 10 kkal/mol. The leading role of M-M multiple bonds in the binuclear complex of transition metal (''clathrate effect'') in the process of the N2 molecule destruction is confirmed by the results of electronic structure calculations of binuclear complexes of the molecular nitrogen [P4ClRe(N2)MoOCl4] without M-M bonds and [Mo2Cl8(N2)]3- with multiple M-M bond