Analysis of Insulation and Environmental Properties of Decomposition Products in SF6-N2 Mixtures in the Presence of H2O

In context of insulation and environmental properties, decomposition products in SF
₆
-N
₂
mixtures in the presence of H
₂
O are analyzed by Density Function Theory (DFT). Homo and Lumo structures of ten decomposition products are given with the optimized geometries employing B3LYP hybrid method at the 6-311+G(d,p) level . The presented information with respect to the electronic states, ionization energies and energy gaps of SOF
₄
, SO
₂
F
₂
, SOF
₂
, S
₂
F
₁₀
, S
₂
O
₃
F
₆
, and (SF
₅
)
₂
NF decomposition products is not available in the literature. Ionization energies, electron affinity and molecular orbital energy gap which is an indicator of the stability of the by-products are reported for the decomposition products analyzed.