In the present work, the existing ideas about the structure of ammonium platinates were developed and supplemented. Using the example of cisplatin is shown for the first time, the possibility of using the full four-component Dirac equation in combination with the DFT method both for optimizing the geometric parameters of a molecule and calculating second-order magnetic properties, in particular, NMR screening constants.
cisplatin, transplatin, quantum chemical calculations, DFT, 15N NMR chemical shift, relativistic effectsv