INVESTIGATION OF ELECTRONIC-STRUCTURE OF SOME NITROCOMPOUNDS

X-ray oxygen spectra have been obtained in the series of nitrocompounds KNO2 (1), HC(NO2) (2) and [Ni(NH3)6] [C(NO2)3]2 (3). The spectra are compared with the results of a MNDP calculation for these compounds. It has been shown that formation of trinitromethane and complex (3) occurs with an active participation in the bonding to carbon of all NO group-orbitals, the shape of the K-alpha-spectrum being only slightly changed. The ionization potentials of the upper levels of nonbonding and slightly-bonding type filled with oxygen 2p-electron density decrease in the series 1-3. At the same time, the negative charge on oxygen increases in this series. For complex (3) the X-ray experiment gives two types of oxygen atoms differing in charge.