Structures and Mechanism of MOF-505 and Cu-ZSM-5 Promoted Mukaiyama Aldol Reaction: An ONIOM study
The reaction mechanism of Metal organic framework (MOF-505) and Cu-exchange ZSM-5 zeolite promoted Mukaiyama Aldol reaction is studied theoretically. Density-functional theory (B3LYP/6-31G(d,p)) and ONIOM (B3LYP/6-31G(d,p):UFF) have been employed to investigate the reaction of Mukaiyama aldol [...]