How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds

Spin–orbit coupling is responsible for many heavy-atom effects on NMR chemical shifts, for example, normal halogen dependence. A simple but general model for spin–orbit-induced substituent effects has now been developed by analogy to the Fermi contact spin–spin coupling mechanism (see below). DFT ca... View More