مشخصات پژوهش

The chemical potentials for two series of [PtCl(NCN-Z-4)] (NCN = 2,6-bis[(dimethylamino)methyl]phenyl, Z = H, CHO, COOH, NH2, OH, NO2, SiMe3, I, t-Bu) and [PtCl(NCN-4-CH@N-C6H4-Z0-40)] (Z0 = NMe2, Me, H, Cl, CN) were calculated. The energies of platinum d orbitals were calculated by NBO analysis. Good correlations were obtained between 195Pt chemical shifts and the spectral parameters obtained from the energies of electronic transitions between Pt d orbitals in these complexes. The correlations between 195Pt chemical shifts and the chemical potentials were also good. The correlations were discussed based on Ramsey’s equation.