Recent work suggested that the role of diazomethane in carcinogenesis by nitrosamines should be reinvestigated. Ab initio self-consistent-field gradient calculations using a 4–21 G basis set have shown that on energetic grounds the involvement of diazomethane cannot be excluded. Diazomethane may be formed as a minor product in the presence of methanediazohydroxide and base. The transition structure for the direct formation of diazomethane from methanediazohydroxide is reported; the second-order Møller–Plesset (MP2) energy barrier suggests that this exothermic reaction may proceed slowly.
|Number of pages||5|
|Journal||Journal of the Chemical Society, Perkin Transactions 2|
|Publication status||Published - 1986|