Micro-hydrophobic effects in benzene methylation over ZSM-5 were identified by using solid-state NMR experiments coupled with ultrahigh magic angle spinning technique and theoretical simulations. The micro-hydrophobic effects induced by the local water molecules in ZSM-5 channels can drive the benzene molecules towards to surface methoxy species (SMS) to form the active SMS-Benzene complex, which promotes benzene methylation.

Link:https://onlinelibrary.wiley.com/doi/10.1002/anie.202313974