Density functional theory study of a silver N-heterocyclic carbene complex

Geometry optimization was carried out by using the density functional theory method with B3LYP applying 6-31G* basis set by plotting the X-ray single crystal structure in the gas phase. Some solvents in the approximately three dimensions of the molecule were used in the Spartan 10 program. The space layout and space structure of the molecular atoms were determined. Thus, bond lengths (Å), bond angles (o) and torsion angles (o) were calculated...