Benchmark study of bond dissociation energy of SiX (XF, Cl, Br, N, O, H and C) bond using density functional theory (DFT)

The present research study was directed to investigate BDEs of selected bonds of silicon with halogens (F, Cl, Br), N, H, C, Si and O by using different functionals (CAM/B3LYP, B3LYP, B3PW91, PBEPBE, TPSSTPSS) along with various basis set 3-21G, aug/cc-pVTZ, 6-31G, cc-pVDZ, DGDZVP and DGDZVP2.192