We have just published a new paper in Chem Comm in collaboration with The O’Hagan Lab
In this paper we have explored the triaxial preference of 1,3,5-trifluorocyclohexanes both computationally and experimentally. Interestingly prototype 1,3,5-trifluorocyclohexane preferes all fluorine in gauche conformer in the gas phase and in nonpolar solvents due to electrostatic repulsions, but it interconverts to triaxial in the solid state due to CF…HC intermolecular interactions. Check it at Chem Comm:
https://pubs.rsc.org/en/content/articlelanding/2022/CC/D2CC05058G
