A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M(CO)3SiX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te)

•Theoretical study of Silicon Chalcogenides.•The M-Si σ-bonding orbitals are polarized toward the metal atom.•The M-Si bonds have higher degree of ionic character.•The NBO analysis indicates that the SiX is a good sigma donor when compared with the carbonyl (CO).•The four BCPs around the metallic center is Positive.