Solvothermal synthesis of new metal organic framework structures in the zinc-terephthalic acid-dimethyl formamide system
- Department of Chemistry, University of Aarhus, Langelandsgade 140, 8000 Aarhus C (Denmark)
- Department of Chemistry, University of Southern Denmark, Campusvej 55, 5230 Odense M (Denmark)
Two new metal organic framework (MOF) structures have been obtained from the Zn-terephthalic acid (H{sub 2}BDC)-dimethyl formamide (DMF) system and examined by single-crystal X-ray diffraction: Zn(C{sub 8}H{sub 4}O{sub 4})(C{sub 3}H{sub 7}NO), 1, monoclinic C2/m, a=11.1369(5), b=14.0217(7), c=7.9890(4)A, {beta}=106.316(1){sup o}, V=1197.3(1)A{sup 3}, T=180(2)K, Z=4, R{sub 1}=0.060, wR{sub 2}=0.169, S=1.27; Zn(HCO{sub 2}){sub 3}(C{sub 2}H{sub 8}N), 2, trigonal R3-bar c, a=8.1818(1), c=22.1235(7)A, V=1282.57(5)A{sup 3}, T=180(2)K, Z=6, R{sub 1}=0.014, wR{sub 2}=0.039, S=1.11. Contrary to previously published structures in the same system, the crystals were obtained by solvothermal synthesis at 381K. Structure 1 consists of 2-D layers stacked in an offset manner to accommodate DMF moieties coordinated to Zn{sup 2+} within voids in adjacent layers. Structure 2 consists of a 3-D network constructed from Zn{sup 2+} ions bridged by deprotonated formic acid moieties. Over time, the structure of 1 rearranges to Zn(C{sub 8}H{sub 4}O{sub 4})(C{sub 3}H{sub 7}NO)(H{sub 2}O) [monoclinic P2{sub 1}/n, a=6.6456(2), b=15.2232(5), c=12.6148(4)A, {beta}=104.110(2){sup o}, V=1237.70(7)A{sup 3}, T=100(2)K, Z=4, R{sub 1}=0.048, wR{sub 2}=0.100, S=1.07], which is identical to the known MOF-2 structure, obtained by crystallization at ambient conditions. The three structures were determined from crystals with similar crystal habits picked from a single solvothermal synthesis batch. The study demonstrates that MOF syntheses can give not only multiple crystal structures under different conditions, but also that numerous different structures, including some that are metastable, can be formed under identical conditions.
- OSTI ID:
- 20784768
- Journal Information:
- Journal of Solid State Chemistry, Vol. 178, Issue 11; Other Information: DOI: 10.1016/j.jssc.2005.08.013; PII: S0022-4596(05)00375-0; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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