Andrew M. Teale

Reactivity of ambident nucleophiles in magnetic fields: A combined conceptual DFT and current-DFT study

The influence of strong external magnetic fields (up to 0.30 B0) on the electronic structure and reactivity of ambident nucleophiles is investigated using the nitrite and thiocyanate anions as prototypical examples. To capture magnetic-field-induced changes in reactivity, current...