Theoretical process for the investigation of dielectric characteristics of F3NO as an alternative gas for SF6

To examine the possibility of using a gas molecule as an SF6 alternative gas, insulation properties must be estimated. In this work, we present theoretical approach to calculate geometry parameters, electron scattering cross sections, and transport nitrogen fluoride oxide (F3NO), which have selected SF6. The molecular minimum structure F3NO was optimized ɷB97X-D functional combined with aug-cc-pVTZ basis set. Using initial obtained by calculation, R-matrix calculation done obtain elastic momentum transfer section. BE-f method used for electronic excitation For ionization section, binary encounter Bethe used. From calculated section data, coefficients reaction were solving two-term approximated Boltzmann equation investigate discharge characteristics.