THE IMPACT OF THE LOWEST ENERGY LEVELS ON FIRST ADIABATIC POTENTIALS
OF NITROGEN MOLECULE LINKAGE IONIZATION

Dolomatov Mikhail Yuryevich, Doctor of chemical sciences, professor, sub-department of physics, head of laboratory of physical and chemical multicomponent imperfect systems, Ufa State Academy of Economics and Service, dolomatov@gmail.com
Latypov Kamil Faridovich, Research assistant, laboratory of physical and chemical multicomponent imperfect systems, Ufa State Academy of Economics and Service, kamil-latipov@rambler.ru

535.34; 541.1

The authors have discovered a correlation between empirically defined first adiabatic ionization potentials and the lower energy levels in molecules of nitrogen-containing organic compounds. The calculation has been performed by ab initio method RHF-3-21G **. This dependence is observed in nitrogenous compounds of various classes and is related to the exchange and the Coulomb interactions. The results obtained have been confirmed by statistical data processing.

first ionization potential, oscillator’s integrated strength, electronic spectra, energy of molecular orbitals, nitrogen-containing compounds, quantum chemistry.