A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework

Chem Commun (Camb). 2014 Nov 25;50(91):14109-12. doi: 10.1039/c4cc05987e.

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.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Adsorption
  • Hydrogen / chemistry*
  • Molecular Dynamics Simulation
  • Neutron Diffraction
  • Organometallic Compounds / chemistry*
  • Rotation
  • Surface Properties

Substances

  • Organometallic Compounds
  • Hydrogen