Disordered Materials Express Proposal: Reavealing the Pi interaction between olefin and methanol

This proposal aims to investigate the nature of the weak interaction between carbon - carbon double bonds and polar solvents.Data on linear and cyclic alkenes in methanol have already been acquired and analysed via EPSR simulations, these however don't show the interaction we are looking for and seem to be strongly dipendent on the parameters used, such as Lennard - Jones potentials and partial charges.We are asking then to acquire data to study a simpler and rigid alkene, tetramethyl ethylene, in methanol, hoping that the rigidity and the high symmetry would work as a contraint for the simulations revealing whether or not the Pi interaction is present.