title: A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework.
abstract: A combined inelastic neutron scattering (INS) and theoretical study of H2 sorption in Y-FTZB, a recently reported metal-organic framework (MOF) with fcu topology, reveals that the strongest binding site in the MOF causes a high barrier to rotation on the sorbed H2. This rotational barrier for H2 is the highest yet of reported MOF materials based on physisorption.
authors.affiliation: Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, FL 33620, USA. juergen@usf.edu.
authors.forename: Tony
authors.initials: T
authors.lastname: Pham
authors.forename: Katherine A
authors.initials: KA
authors.lastname: Forrest
authors.forename: Peter A
authors.initials: PA
authors.lastname: Georgiev
authors.forename: Wiebke
authors.initials: W
authors.lastname: Lohstroh
authors.forename: Dong-Xu
authors.initials: DX
authors.lastname: Xue
authors.forename: Adam
authors.initials: A
authors.lastname: Hogan
authors.forename: Mohamed
authors.initials: M
authors.lastname: Eddaoudi
authors.forename: Brian
authors.initials: B
authors.lastname: Space
authors.forename: Juergen
authors.initials: J
authors.lastname: Eckert
mesh_terms: D000327:Adsorption; D006859:Hydrogen / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D033363:Neutron Diffraction; D009942:Organometallic Compounds / Q000737:chemistry*; D012399:Rotation; D013499:Surface Properties
chemical_list: D009942:Organometallic Compounds; D006859:Hydrogen