A Density Functional Theoretic Studies (DFT) On Tetrakis (trifluoromethy1)-1, 4-diphosphabenzene System

The optimized geometries and frequencies of the stationary point and the minimum-energy paths have been calculated on the Tetrakis (trifluoromethy1) - 1, 4-diphosphabenzene by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated both some selected bond length and bond angles values for the Tetrakis (trifluoromethy1) - 1, 4-diphosphabenzene. The group point of compound is C1.