title: Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation.
abstract: The demand for Xe/Kr separation continues to grow due to the industrial significance of high-purity Xe gas. Current separation processes rely on energy intensive cryogenic distillation. Therefore, less energy intensive alternatives, such as physisorptive separation, using porous materials, are required. Herein we show that an underexplored class of porous materials called hybrid ultra-microporous materials (HUMs) affords new benchmark selectivity for Xe separation from Xe/Kr mixtures. The isostructural materials, CROFOUR-1-Ni and CROFOUR-2-Ni, are coordination networks that have coordinatively saturated metal centers and two distinct types of micropores, one of which is lined by CrO4 (2-) (CROFOUR) anions and the other is decorated by the functionalized organic linker. These nets offer unprecedented selectivity towards Xe. Modelling indicates that the selectivity of these nets is tailored by synergy between the pore size and the strong electrostatics afforded by the CrO4 (2-) anions.
authors.affiliation: Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, 99352, USA.|Chemistry Department, Faculty of Science, Alexandria University, P.O.Box 426 Ibrahimia, Alexandria, 21321, Egypt.
authors.forename: Mona H
authors.initials: MH
authors.lastname: Mohamed
authors.affiliation: Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, 99352, USA.|Chemistry Department, Faculty of Science, Alexandria University, P.O.Box 426 Ibrahimia, Alexandria, 21321, Egypt.
authors.forename: Sameh K
authors.initials: SK
authors.lastname: Elsaidi
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Ave., CHE205, Tampa, FL, 33620, USA.
authors.forename: Tony
authors.initials: T
authors.lastname: Pham
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Ave., CHE205, Tampa, FL, 33620, USA.
authors.forename: Katherine A
authors.initials: KA
authors.lastname: Forrest
authors.affiliation: Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, 99352, USA.
authors.forename: Herbert T
authors.initials: HT
authors.lastname: Schaef
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Ave., CHE205, Tampa, FL, 33620, USA.
authors.forename: Adam
authors.initials: A
authors.lastname: Hogan
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Ave., CHE205, Tampa, FL, 33620, USA.
authors.forename: Lukasz
authors.initials: L
authors.lastname: Wojtas
authors.affiliation: X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, IL, 60439, USA.
authors.forename: Wenqian
authors.initials: W
authors.lastname: Xu
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Ave., CHE205, Tampa, FL, 33620, USA.
authors.forename: Brian
authors.initials: B
authors.lastname: Space
authors.affiliation: Department of Chemical & Environmental Sciences, University of Limerick, Limerick, Republic of Ireland.
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Zaworotko
authors.affiliation: Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, 99352, USA. praveen.thallapally@pnnl.gov.
authors.forename: Praveen K
authors.initials: PK
authors.lastname: Thallapally
keywords: chromium; hybrid ultra-microporous materials; metal-organic frameworks; separations; xenon