Infinite Secondary Building Units and Forbidden Catenation in Metal‐Organic Frameworks
dc.contributor.author | Rosi, Nathaniel L. | en_US |
dc.contributor.author | Eddaoudi, Mohamed | en_US |
dc.contributor.author | Kim, Jaheon | en_US |
dc.contributor.author | O'Keeffe, Michael | en_US |
dc.contributor.author | Yaghi, Omar M. | en_US |
dc.date.accessioned | 2013-09-04T17:18:32Z | |
dc.date.available | 2013-09-04T17:18:32Z | |
dc.date.issued | 2002-01-18 | en_US |
dc.identifier.citation | Rosi, Nathaniel L.; Eddaoudi, Mohamed; Kim, Jaheon; O'Keeffe, Michael; Yaghi, Omar M. (2002). "Infinite Secondary Building Units and Forbidden Catenation in Metal‐Organic Frameworks." Angewandte Chemie International Edition 41(2): 284-287. <http://hdl.handle.net/2027.42/99644> | en_US |
dc.identifier.issn | 1433-7851 | en_US |
dc.identifier.issn | 1521-3773 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/99644 | |
dc.publisher | WILEY‐VCH Verlag GmbH | en_US |
dc.subject.other | Carboxylate Ligands | en_US |
dc.subject.other | Interpenetration | en_US |
dc.subject.other | Copolymerization | en_US |
dc.subject.other | Zinc | en_US |
dc.subject.other | Zeolite Analogues | en_US |
dc.subject.other | Secondary Building Units | en_US |
dc.title | Infinite Secondary Building Units and Forbidden Catenation in Metal‐Organic Frameworks | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Materials Design and Discovery Group Department of Chemistry University of Michigan Ann Arbor, MI 48109‐1055, USA, Fax: (+1) 734‐615‐9751 | en_US |
dc.contributor.affiliationother | Department of Chemistry and Biochemistry Arizona State University Tempe, AZ 85287‐1604, USA | en_US |
dc.identifier.pmid | 12491410 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/99644/1/284_ftp.pdf | |
dc.identifier.doi | 10.1002/1521-3773(20020118)41:2<284::AID-ANIE284>3.0.CO;2-M | en_US |
dc.identifier.source | Angewandte Chemie International Edition | en_US |
dc.identifier.citedreference | en_US | |
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dc.identifier.citedreference | X‐ray structure data: Siemens SMART CCD diffractometer, ω scans, graphite‐monochromated Mo Kα radiation, SAINT for data integration, SADABS for absorption correction, XPREP for correction of Lorentz and polarization effects, and structure solution with direct methods (teXsan [17] for MOF‐69A, SHELX‐TL [18] for MOF‐69B). | en_US |
dc.identifier.citedreference | Data collection for MOF‐69A: A colorless columnar crystal was analyzed: approximate dimensions: 0.30×0.090×0.080 mm at −120 °C, monoclinic, space group C 2 /c (no. 15) with a =23.1179(11), b =20.9192(5), c =12.0021(5) Å, β =111.627(2)°, V= 5395.7(4) Å 3, Z =4, ρ calcd = 1.417 g cm −3, μ (Mo Kα )=13.90 cm −1, F (000)=2400, 3530 unique reflections within 2 θ max =43.9°, T max =0.87, T min =0.57. The zinc atoms were refined anisotropically, while the rest were refined isotropically. Hydrogen atoms were included in predicted positions for the ligand and the ordered DEF molecule but not refined. The final cycle of full‐matrix least‐squares refinement was based on 1339 observed reflections ( I >2.50 σ ( I )) and 171 variable parameters and refined to convergence R 1 =0.060 and R w (all data) = 0.066. The maximum and minimum peaks on the final difference Fourier map corresponded to 0.64 and −0.55 e − Å −3, respectively. While a hydrogen‐bonded DEF molecule was defined well, the other DEF guest molecule was not modeled suitably due to the severe disorder around a mirror plane. | en_US |
dc.identifier.citedreference | Data collection for MOF‐69B: A colorless needle crystal was analyzed: approximate dimensions: 0.12×0.020×0.020 mm at −115 °C, monoclinic, space group C 2 /c (no. 15) with a =20.1658(15), b =18.5518(14), c =12.1580(9) Å, β =95.331(1)°, V= 4528.8(6) Å 3, Z= 4, ρ calcd = 1.612 g cm −3, and μ (Mo Kα )=16.54 cm −1, F (000)=2288, 4647 unique reflections within 2 θ max =52.86°, T max =0.97, T min =0.75. All non‐hydrogen atoms were refined anisotropically. The hydrogen atoms of the ndc ligand and the six methyl hydrogen atoms in a DEF molecule were generated with idealized geometries. The hydrogen atoms in both the hydroxy group and the DEF molecule were found in the electron density map and their positional parameters were refined. The final cycle of full‐matrix least‐squares refinement was based on 2282 observed reflections ( I >2.00 σ ( I )) and 294 variable parameters and refined to convergence R 1 =0.0587 and R w = 0.1855. The maximum and minimum peaks on the final difference Fourier map corresponded to 0.854 and −0.761 e − Å −3, respectively. | en_US |
dc.identifier.citedreference | All crystal structures in this report may be viewed and manipulated on the web: http://www.umich.edu/∼yaghigrp/structures.html Crystallographic data (excluding structure factors) for the structures reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication nos. CCDC‐170965 (MOF‐69A) and CCDC‐170966 (MOF‐69B). Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: (+44) 1223‐336‐033; e‐mail: deposit@ccdc.cam.ac.uk). | en_US |
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dc.identifier.citedreference | Other structures types such as the B net in CaB 6 can be adapted to the same strategy. Here, linking octahedral SBUs with both short and long links, of the proper length ratio, that have been designed to lie along perpendicular planes would yield frameworks that do not catenate. This is well‐represented in the structure of [Zn(4,4′‐bpy) 2 (SiF 6 ) n ] n ⋅ x DMF (4,4′‐bpy=4,4′‐bipyridine: S. Subramanian, M. Zaworotko, Angew. Chem. 1995, 107, 2295 – 2297; Angew. Chem. Int. Ed. Engl. 1995, 34, 2127 – 2129. | en_US |
dc.identifier.citedreference | Calculated free volumes were obtained by using Cerius 2 software. | en_US |
dc.identifier.citedreference | Elemental analysis for the exchange products of [Zn 3 (OH) 2 (bpdc) 2 ]⋅(G) g; G=guest. Guests: (C 6 H 6 ) 3.5: calcd: C 59.81, H 3.99, N 0.00; found: C 60.16, H 3.76, N 0.00. (CHCl 3 ) 3.5: calcd: C 33.53, H 1.92, N 0.00; found: C 33.35, H 1.78, N 0.00. ( i C 3 H 7 OH) 0.5: calcd: C 44.48, H 2.63, N 0.00; found: C 44.78, H 2.56, N 0.00. (C 4 H 8 O) 2: calcd: C 47.88, H 3.77, N 0.00; found: C 48.01, H 3.73, N 0.00. (CH 3 C 6 H 5 ) 3.75: calcd: C 61.70, H 4.58, N 0.00; found: C 61.69, H 4.70, N 0.00. Similar results were obtained with MOF‐69B. | en_US |
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dc.identifier.citedreference | Interpenetration, maximal displacement of catenated frameworks. For example see: | en_US |
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dc.identifier.citedreference | B. Chen, M. Eddaoudi, S. T. Hyde, M. O'Keeffe, O. M. Yaghi, Science 2001, 291, 1021. | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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