The evolution of hydrogen atom parameters under changing external conditions by time-of-flight single crystal neutron diffraction

摘要

Recent studies performed by our group, of hydrogen atom behaviour in hydrogen bonds as a function of external variable, are reviewed. The changes observed, often manifest in the form of proton disorder or apparent migration, open up the intriguing possibility of being able to alter the behaviour of hydrogen bonds. This work has only been made possible by developments in data collection methods that allow evolving molecular structures to be studied at unprecedented numbers of temperatures and pressures by neutron single crystal diffraction. It is shown that even more insight is possible by complementing such studies with imaging of hydrogen bonds using X-ray methods, together with using computational studies to try to shed additional light on the underlying potentials.