Web Release Date: February 21,
Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal-Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid
Department of Chemistry and Center for Environmental Molecular Science, State University of New York at Stony Brook, Stony Brook, New York 11794, Department of Chemistry, McMaster University, Hamilton, ON, L8S 4M1 Canada, BASF Aktiengesellschaft, Chemicals Research & Engineering, D-67056, Ludwigshafen, Germany, Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, and Department of Geosciences, State University of New York at Stony Brook, Stony Brook, New York 11794
Received October 6, 2006
Revised Manuscript Received January 10, 2007
Abstract:
Two new metal-organic framework compounds were synthesized under solvothermal conditions using
Zn2+ ion, 1,2,4-triazole (TRZ), and 1,4- and 2,6-naphthalenedicarboxylic acids (NDC): Zn4(TRZ)4(1,4-NDC)2·2DMF·2H2O (1) and Zn4(TRZ)4(2,6-NDC)2·2DMF·4H2O (2). Their crystal structures were
characterized by single-crystal X-ray diffraction. Structure 1 crystallizes in the P21/n space group with
a = 13.609(2) Å, b = 27.181(5) Å, c = 13.617(3) Å, 
= 92.46(1) 
, V = 5032.4(16) Å3, and Z = 4.
Structure 2 crystallizes in orthorhombic Pna21 space group with a = 30.978(6) Å, b = 12.620(3) Å, c
= 13.339(3) Å, V = 5215(2) Å3, and Z = 4. Both structures are analogues of the previously reported
Zn4(TRZ)4(1,4-BDC)2·16H2O where the layers of Zn-triazole moieties are pillared by aromatic
dicarboxylates to create 3-D open frameworks. Nitrogen sorption studies revealed that these structures
have Brunaer-Emmett-Teller (BET) surface areas of 362.1-584.1 m2/g. Hydrogen sorption experiments
showed they can store 0.84-1.09 wt % of H2 at 77 K and 1 atm. Although they do not contain large
pores or surface areas, they possess the hydrogen sorption capacities comparable to those of highly porous
metal-organic frameworks.
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