Proton-Assisted Ethylene Hydration in Aqueous Solution

摘要

Recent studies have revealed an accurate atomistic picture of proton transport in bulk water, the prime prototype proton-transport reaction. For example, femtosecond pump-probe spectroscopy of the OH stretch vibration in liquid water has clarified the first stage of water deprotonation. Earlier, the nature of the mechanism and dynamics of proton transfer in bulk water has been addressed in a computational study using ab initio molecular dynamics.