Project F - Dependencies of Thermochemical Observables from the Electronic Ground State

Boroles are often brightly coloured, unsaturated five-membered heterocycles containing one boron-atom and feature four electrons in the cyclic π-system. This projects seeks to probe influence of the substitution pattern on the reactivity and spectroscopic properties of these main-group heterocycles with a rather unusual and reactive π-system. Their spectroscopic, kinetic and thermodynamic properties will serve as benchmark for theoretical modelling of the electronic ground-state and linear free enthalpy relationships and thus accessing synthetic blueprints for property customised systems. Collaboration with the Schneider group allows us to obtain experimental data on thermochemical properties using a microcalorimetry set-up.