Let’s talk about MOFs—Topology and terminology of metal-organic frameworks and why we need them

Crystals

Volumn 5, Issue 1, 2015, Pages 154-162

  Öhrström, Lars ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Coordination network; Coordination polymer; Dual net; Interpenetration; Metal organic framework; Point symbol; Topology; Transitivity; Vertex symbol

Indexed keywords

EID: 84923084373     PISSN: None     EISSN: 20734352     Source Type: Journal    
DOI: 10.3390/cryst5010154     Document Type: Article

References (35)

1. The International Union of Pure and Applied Chemistry (IUPAC). Available online: http://www.iupac.org/ (accessed on 30 November 2014).
2. Batten, S.R.; Champness, N.R.; Chen, X.M.; Garcia-Martinez, J.; Kitagawa, S.; Öhrström, L.; O’Keeffe, M.; Suh, M.P.; Reedijk, J. Coordination polymers, metal-organic frameworks and the need for terminology guidelines. CrystEngComm2012, 14, 3001–3004.
3. Öhrström, L. Coordination Polymers and Metal Organic Frameworks: Terminology and Nomenclature Guidelines. Chem. Int.2010, Available online: http://www.iupac.org/publications/ci/2010/3201/pp1_2009-012-2-200.html (accessed on 30 November 2014).
4. Drahl, C. Confusion over scientific nomenclature is par for the chemistry course. Chem. Eng. News2014, 92, 28–29.
5. Dagani, R. Gallium “triple bonds” under fire. Chem. Eng. News1998, 76, 31–35.
6. Batten, S.R.; Champness, N.R.; Chen, X.M.; Garcia-Martinez, J.; Kitagawa, S.; Öhrström, L.; O’Keeffe, M.; Suh, M.P.; Reedijk, J. Terminology of metal-organic frameworks and coordination polymers (IUPAC recommendations 2013). Pure Appl. Chem.2013, 85, 1715–1724.
7. Ockwig, N.W.; Delgado-Friedrichs, O.; O’Keeffe, M.; Yaghi, O.M. Reticular Chemistry: Occurrence and taxonomy of nets and grammar for the design of frameworks. Acc. Chem. Res. 2005, 38, 176–182.
8. Öhrström, L.; Larsson, K. Molecule-Based Materials: The Structural Network Approach; Elsevier: Amsterdam, The Netherlands, 2005.
9. Öhrström, L.; Network and Graph Set Analysis. In Encyclopedia of Supramolecular Chemistry, Volume 8. Supramolecular Materials Chemistry; Barbour, L., Ed.; Wiley: Chichester, UK, 2012.
10. Öhrström, L.; O’Keeffe, M. Network topology approach to new allotropes of the group 14 elements. Z. Krist. Cryst. Mat. 2013, 228, 343–346.
11. Reticular Chemistry Structure Resource. Available online: http://rcsr.anu.edu.au (accessed on 30 November 2014).
12. O’Keeffe, M.; Peskov, M.A.; Ramsden, S.; Yaghi, O.M. The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets. Acc. Chem. Res. 2008, 41, 1782–1789.
13. O’Keeffe, M.; Yaghi, O.M. Deconstructing the crystal structures of metal-organic frameworks and related materials into their underlying nets. Chem. Rev. 2011, 112, 675–702.
14. SYSTRE 1.2. Available online: http://gavrog.org/Systre-Help.html (accessed on 30 November 2013).
15. Blatov, V.A.; Shevchenko, A.P.; Proserpio, D.M. Ac.Pavlov St. 1, 443011 Samara, Russia. Available online: http://www.topos.ssu.samara.ru/topos40.html (accessed on 30 November 2014); http://topospro.com (accessed on 30 November 2014).
16. Blatov, V.A.; Shevchenko, A.P.; Proserpio, D.M. Applied Topological Analysis of Crystal Structures with the Program Package ToposPro. Cryst. Growth Des. 2014, 14, 3576–3586.
17. El-Kaderi, H.M.; Hunt, J.R.; Mendoza-Cortes, J.L.; Cote, A.P.; Taylor, R.E.; O’Keeffe, M.; Yaghi, O.M. Designed synthesis of 3D covalent organic frameworks. Science2007, 316, 268–272.
18. In this article I use the familiar term “ring” without further definition. However, one should note that more strictly a ring is defined as a cycle that is not the sum of two smaller cycles, so that some rings we see in these networks are cycles rather than rings.
19. Blatov, V.A.; O’Keeffe, M.; Proserpio, D.M. Vertex-, face-, point-, Schlafli-, and Delaney-symbols in nets, polyhedra and tilings: Recommended terminology. CrystEngComm2010, 12, 44–48.
20. Németh, P.; Garvie, L.A.J.; Aoki, T.; Dubrovinskaia, N.; Dubrovinsky, L.; Buseck, P.R. Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material. Nat. Commun.2014, 5, doi:10.1038/ncomms6447.
21. Li, M.; Li, D.; O’Keeffe, M.; Yaghi, O.M., Topological Analysis of Metal-Organic Frameworks with Polytopic Linkers and/or Multiple Building Units and the Minimal Transitivity Principle. Chem. Rev. 2014, 114, 1343–1370.
22. O’Keeffe, M. Nets, tiles, and metal-organic frameworks. APL Mater. 2014, doi:10.1063/1.4901292.
23. Delgado-Friedrichs, O.; Dress, A.W.M.; Huson, D.H.; Klinowski, J.; Mackay, A.L. Systematic enumeration of crystalline networks. Nature1999, 400, 644–647.
24. Bonneau, C.; Delgado-Friedrichs, O.; O’Keeffe, M.; Yaghi, O.M. Three-periodic nets and tilings: Minimal nets. Acta Cryst. A2004, 60, 517–520.
25. Delgado-Friedrichs, O.; O’Keeffe, M.; Yaghi, O.M. Three-periodic nets and tilings: Regular and quasiregular nets. Acta Cryst. A2003, 59, 22–27.
26. Delgado-Friedrichs, O.; O’Keeffe, M.; Yaghi, O.M. Three-periodic nets and tilings: Semiregular nets. Acta Cryst. A2003, 59, 515–525.
27. Delgado-Friedrichs, O.; O’Keeffe, M.; Yaghi, O.M. The CdSO4, rutile, cooperite and quartz dual nets: Interpenetration and catenation. Solid State Sci. 2003, 5, 73–78.
28. Kanda, S.; Saito, Y. Synthesis of co-ordination compounds of high molecular weight. Bull. Chem. Soc. Jpn. 1957, 30, 192–193.
29. Batten, S.R. Toppology of Interpenetration. CrystEngComm2001, 3, 67–72.
30. Batten, S.R.; Robson, R. Interpenetrating nets: Ordered, periodic entanglement. Angew. Chem. Int. Ed. 1998, 37, 1461–1494.
31. Blatov, V.A.; Carlucci, L.; Giani, G.; Proserpio, D.M. Interpenetrating metal-organic and inorganic 3D network: A computer-aided systematic investigation. Part I. Analysis of the Cambridge structural Database. CrystEngComm2004, 6, 377–395.
32. Carlucci, L.; Ciani, G.; Proserpio, D.M. Polycatenation, polythreading and polyknotting in coordination network chemistry. Coord. Chem. Rev. 2003, 246, 247–289.
33. Mitina, T.G.; Blatov, V.A. Topology of 2-Periodic Coordination Networks: Toward Expert Systems in Crystal Design. Cryst. Growth Des. 2013, 13, 1655–1664.
34. Carlucci, L.; Ciani, G.; Proserpio, D.M.; Mitina, T.G.; Blatov, V.A. Entangled Two-Dimensional Coordination Networks: A General Survey. Chem. Rev. 2014, 114, 7557–7580.
35. Karmakar, A.; Oliver, C.L.; Roy, S.; Öhrström, L. The synthesis, structure, topology and catalytic application of a novel cubane-based copper(II) metal-organic framework derived from a flexible amido tripodal acid. Dalton Trans. 2015, doi:10.1039/c4dt03087g.