Relativistic Effects from Heavy Main Group p-Elements on the NMR Chemical Shifts of Light Atoms: From Pioneering Studies to Recent Advances

This review represents a compendium of computational studies relativistic effects on the NMR chemical shifts light nuclei caused by presence heavy main group p-block elements in molecules. The narration starts from brief discussion theories and quantum methods for calculation at level electronic theory. part contains survey calculations shielding constants most popular NMR-active such as 1H, 13C, 19F, 29Si, 15N, 31P compounds containing p-elements. A special focus is placed initiated 16th 17th elements. Different factors governing behavior atoms are discussed. In particular, stereochemistry “heavy atom atom” effect influence spin–orbit vibrational contributions to considered.