Insertion of Nitriles Into a Gold(III)/Carbene Bond: A Direct and Powerful Entry to Imino-Substituted Carbenes.

Strikingly, very little is known so far about reactive gold(III) carbenes. They have been proposed as key intermediates in a few reactions but remain chemical curiosities. Taking into account the enhanced electrophilicity of cationic Au(III) carbene complexes, we were intrigued by their reactivity with nitriles.

ESIPT in the pyrrol pyridine molecule: mechanism, timescale and yield revealed using dynamics simulations.

Excited State Intramolecular Proton Transfer in pyrrol pyridine is theoretically investigated using non-adiabatic dynamics simulations. The photochemical process is completely characterised: the reaction time, the total yield and the accessibility of the conical intersection are evaluated. Finally, new mechanistic interpretation are extracted: the proton transfer reaction in this molecule is shown to be driven by two complementary mechanisms.