Event Details

Join Dr Andy Kerridge for a fascinating talk on how we can use quantum chemistry to visualise electron movements in 3 dimensional space!

About the Speaker: Andy is a Senior Lecturer in Computational Chemistry at Lancaster University and a former EPSRC Career Acceleration Fellow with a multidisciplinary research background.

Abstract: Reaction mechanisms are often represented using curly arrows, indicating the movement of electrons as the reaction proceeds, but modern computers can simulate these reactions by applying the principles of quantum mechanics. This quantum chemical approach allows us to follow the flow of electrons in 3-dimensional space during the reaction and can be used to rationalise the curly arrow description. In this lecture, I will show how we visualise electrons in molecules using quantum chemistry and, by considering the famous Diels-Alder cycloaddition reaction, how we can use this visualisation technique to observe bond formation and therefore rationalise the curly arrow mechanism.’