title: Pyrogallol[4]arenes as frustrated organic solids.
abstract: Two forms of interdigitated layered arrangements of C-pentylpyrogallol[4]arene (PgC5) have been structurally elucidated and show variations in packing arrangements and host-guest interactions. Molecular dynamics simulations reveal a propensity for formation of self-included dimers, with or without incorporated solvent. Combined gas sorption and PXRD results show the presence of seven forms of PgC5, with and without CO2 (and their interconversions). This is the first CO2 gas sorption study of pyrogallol[4]arenes, and it provides evidence that pyrogallol[4]arenes may act as frustrated organic solids.
authors.affiliation: Department of Chemistry, University of Missouri-Columbia , 601 S. College Avenue, Columbia, Missouri 65211, United States.
authors.forename: Harshita
authors.initials: H
authors.lastname: Kumari
authors.forename: Loredana
authors.initials: L
authors.lastname: Erra
authors.forename: Alicia C
authors.initials: AC
authors.lastname: Webb
authors.forename: Prashant
authors.initials: P
authors.lastname: Bhatt
authors.forename: Charles L
authors.initials: CL
authors.lastname: Barnes
authors.forename: Carol A
authors.initials: CA
authors.lastname: Deakyne
authors.forename: John E
authors.initials: JE
authors.lastname: Adams
authors.forename: Leonard J
authors.initials: LJ
authors.lastname: Barbour
authors.forename: Jerry L
authors.initials: JL
authors.lastname: Atwood