The hydrogenation of 2H-azirine by the aluminium lithium hydride (AlLiH4) in the presence of palladium used like catalyst, was studied by Hartree Fock method. For the modelling of reaction, the catalyst was represented by one atom of palladium; we took one molecule of 2H-azirine for two molecules of aluminium lithium hydride. The reaction gave a saturated derivative of 2H-azirine (C2H3N) called aziridine (C2H5N). On the basis of the analysis of the results obtained, the probable mechanism of reaction was proposed.
Key words: 2H-azirine, aziridine, aluminium lithium hydride, palladium, modelling of reaction, Hartree Fock
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