title: Encapsulation of Arenes within a Porous Molybdenum Oxide {Mo132} Nanocapsule.
abstract: The use of confined space to modulate chemical reactivity and to sequester organic compounds spans significant disciplines in chemistry and biology. Here, the inclusion and assembly of arenes into a water-soluble porous metal oxide nanocapsule [{(MoVI)MoV5O21(H2O)6}12{MoV2O4(CH3COO)}30]42-(Mo132) is reported. The uptake of benzene, halobenzenes, alkylbenzenes, phenols, and other derivatives was studied by NMR, where it was possible to follow the encapsulation process from the outside of the capsule through its pores and then into the interior. The importance of size or shape of the arenes, and various intermolecular bond interactions contributed by the benzene substituent on the encapsulation process was studied, showing the importance of π-π stacking and CH-π interactions. Furthermore, by using NOESY, ROESY, and HOESY NMR techniques it was possible to understand the interaction of the encapsulated arenes and the acetate linkers or ligands that line the interior of the Mo132capsule.
authors: Department of Organic Chemistry, Weizmann Institute of Science, Rehovot, 76100, Israel.
authors: Bidyut Bikash
authors: BB
authors: Sarma
authors: Department of Chemical Research Support, Weizmann Institute of Science, Rehovot, 76100, Israel.
authors: Liat
authors: L
authors: Avram
authors: Department of Organic Chemistry, Weizmann Institute of Science, Rehovot, 76100, Israel. ronny.neumann@weizmann.ac.il.
authors: Ronny
authors: http://orcid.org/0000-0002-5530-1287
authors: R
authors: Neumann
keywords: NMR spectroscopy; arenes; encapsulation; keplerates; polyoxometalate