Surface Interactions and Quantum Kinetic Molecular Sieving for H2

Apr 25, 2008 - A rational strategy has been used to immobilize open metal sites in ultramicroporosity for stronger binding of multiple H2 molecules pe...
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Surface Interactions and Quantum Kinetic Molecular Sieving for H2 and D2 Adsorption on a Mixed Metal-Organic Framework Material Banglin Chen,*,‡ Xuebo Zhao,† Apipong Putkham,† Kunlun Hong,⊥ Emil B. Lobkovsky,§ Eric J. Hurtado,‡ Ashleigh J. Fletcher,† and K. Mark Thomas*,† Northern Carbon Research Laboratories, Sir Joseph Swan Institute for Energy Research and School of Chemical Engineering and AdVanced Materials, Bedson Building, UniVersity of Newcastle upon Tyne, Newcastle upon Tyne, NE1 7RU, United Kingdom, Department of Chemistry, UniVersity of Texas-Pan American, Edinburg, Texas 78539, Department of Chemistry and Biology, Baker Laboratory, Cornell UniVersity, Ithaca, New York 14853-1301, and Chemical Sciences DiVisions and Center for Nanophase Material Sciences (CNMS), Oak Ridge National Laboratory, Oak Ridge, Tennessee 3783 Received November 19, 2007; E-mail: [email protected]; [email protected]

Abstract: A rational strategy has been used to immobilize open metal sites in ultramicroporosity for stronger binding of multiple H2 molecules per unsaturated metal site for H2 storage applications. The synthesis and structure of a mixed zinc/copper metal-organic framework material Zn3(BDC)3[Cu(Pyen)] · (DMF)5(H2O)5 (H2BDC ) 1,4 benzenedicarboxylic acid and PyenH2 ) 5-methyl-4-oxo-1,4-dihydro-pyridine-3-carbaldehyde) is reported. Desolvation provides a bimodal porous structure Zn3(BDC)3[Cu(Pyen)] (M′MOF 1) with narrow porosity (