Artigo Revisado por pares

Superspace group descriptions of the symmetries of incommensurate urea inclusion compounds

1996; Royal Society; Volume: 452; Issue: 1946 Linguagem: Inglês

10.1098/rspa.1996.0034

ISSN

1471-2946

Autores

Sander van Smaalen, Kenneth D. Harris,

Tópico(s)

Crystal structures of chemical compounds

Resumo

Restricted accessMoreSectionsView PDF ToolsAdd to favoritesDownload CitationsTrack Citations ShareShare onFacebookTwitterLinked InRedditEmail Cite this article Van Smaalen Sander and Harris Kenneth D. M. 1996Superspace group descriptions of the symmetries of incommensurate urea inclusion compoundsProc. R. Soc. Lond. A.452677–700http://doi.org/10.1098/rspa.1996.0034SectionRestricted accessArticleSuperspace group descriptions of the symmetries of incommensurate urea inclusion compounds Sander Van Smaalen Google Scholar Find this author on PubMed Search for more papers by this author and Kenneth D. M. Harris Google Scholar Find this author on PubMed Search for more papers by this author Sander Van Smaalen Google Scholar Find this author on PubMed and Kenneth D. M. Harris Google Scholar Find this author on PubMed Published:01 January 1996https://doi.org/10.1098/rspa.1996.0034AbstractUrea inclusion compounds are a class of incommensurate composite crystals. The urea molecules form a three-dimensionally connected network, with approximate space group symmetry P6122. This network contains tunnels (channels), which accommodate guest molecules. The periodicities of the urea subsystem and the guest subsystem along the tunnel axis are mutually incommensurate. Depending on temperature, the guest subsystem exists with various degrees of disorder. This paper reports the application of the superspace formalism to describe the symmetries of incommensurate urea inclusion compounds. A list of superspace groups is given, compatible with the urea subsystem structure, and describing the possible guest subsystem structures. Particular attention is given to the relation between superspace symmetry, the various types of (dis)order in the guest subsystem, and the point-symmetry of the guest molecules. Incommensurate urea inclusion compounds containing n-alkane, diacyl peroxide and α, ω-dibromoalkane guest molecules are analysed in detail.FootnotesThis text was harvested from a scanned image of the original document using optical character recognition (OCR) software. As such, it may contain errors. Please contact the Royal Society if you find an error you would like to see corrected. Mathematical notations produced through Infty OCR. 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Palmer B, Kariuki B, Morte-Ródenas A and Harris K (2012) Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea, Crystal Growth & Design, 10.1021/cg201656y, 12:2, (577-582), Online publication date: 1-Feb-2012. Mariette C, Huard M, Rabiller P, Nichols S, Ecolivet C, Janssen T, Alquist K, Hollingsworth M and Toudic B (2012) A molecular "phase ordering" phase transition leading to a modulated aperiodic composite in n -heptane/urea , The Journal of Chemical Physics, 10.1063/1.3692329, 136:10, (104507), Online publication date: 14-Mar-2012. Schoenleber A Organic molecular compounds with modulated crystal structures, Zeitschrift für Kristallographie, 10.1524/zkri.2011.1372, 226:6 Palmer B, Kariuki B, Muppidi V, Hughes C and Harris K (2011) An incommensurate thiourea inclusion compound, Chemical Communications, 10.1039/c0cc05477a, 47:13, (3760), . Martí-Rujas J, Kariuki B, Hughes C, Morte-Ródenas A, Guo F, Glavcheva-Laleva Z, Taştemür K, Ooi L, Yeo L and Harris K (2011) Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes, New Journal of Chemistry, 10.1039/c1nj20040b, 35:7, (1515), . Huard M, Toudic B, Rabiller P, Ecolivet C, Guérin L, Bourges P, Breczewski T and Hollingsworth M (2011) Confined linear molecules inside an aperiodic supramolecular crystal: The sequence of superspace phases in n- hexadecane/urea , The Journal of Chemical Physics, 10.1063/1.3663711, 135:20, (204505), Online publication date: 28-Nov-2011. Toudic B, Rabiller P, Bourgeois L, Huard M, Ecolivet C, McIntyre G, Bourges P, Breczewski T and Janssen T (2011) Temperature-pressure phase diagram of an aperiodic host guest compound, EPL (Europhysics Letters), 10.1209/0295-5075/93/16003, 93:1, (16003), Online publication date: 1-Jan-2011. Toudic B, Lefort R, Ecolivet C, Guérin L, Currat R, Bourges P and Breczewski T (2011) Mixed Acoustic Phonons and Phase Modes in an Aperiodic Composite Crystal, Physical Review Letters, 10.1103/PhysRevLett.107.205502, 107:20 Palmer B, Harris K and Guillaume F (2010) A Strategy for Retrospectively Mapping the Growth History of a Crystal, Angewandte Chemie, 10.1002/ange.201000952, 122:30, (5222-5226), Online publication date: 12-Jul-2010. Palmer B, Harris K and Guillaume F (2010) A Strategy for Retrospectively Mapping the Growth History of a Crystal, Angewandte Chemie International Edition, 10.1002/anie.201000952, 49:30, (5096-5100), Online publication date: 12-Jul-2010. Toudic B, Garcia P, Odin C, Rabiller P, Ecolivet C, Collet E, Bourges P, McIntyre G, Hollingsworth M and Breczewski T (2008) Hidden Degrees of Freedom in Aperiodic Materials, Science, 10.1126/science.1146745, 319:5859, (69-71), Online publication date: 4-Jan-2008. Toudic B, Aubert F, Ecolivet C, Bourges P and Breczewski T (2006) Pressure-Induced Lock-In in an Aperiodic Nanoporous Crystal, Physical Review Letters, 10.1103/PhysRevLett.96.145503, 96:14 Lee S, Kariuki B and Harris K (2005) Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds, New Journal of Chemistry, 10.1039/b502004m, 29:10, (1266), . Harris K (2004) Urea Inclusion Compounds Encyclopedia of Supramolecular Chemistry, 10.1081/E-ESMC-120012728, (1538-1549), Online publication date: 5-May-2004. Harris K (2004) Incommensurate and Commensurate Structures Encyclopedia of Supramolecular Chemistry, 10.1081/E-ESMC-120012729, (712-716), Online publication date: 5-May-2004. Harris K (2010) Local Structural Aspects of One-Dimensional Solid Inclusion Compounds, Phase Transitions, 10.1080/0141159031000080287, 76:3, (205-218), Online publication date: 1-Jan-2003. Lee S, Kariuki B, Richardson A and Harris K (2001) A New Type of Layered Structure for Urea Inclusion Compounds Containing Local Segments of Tunnels, Journal of the American Chemical Society, 10.1021/ja011467s, 123:50, (12684-12685), Online publication date: 19-Dec-2001. Rabiller P, Etrillard J, Toupet L, Kiat J, Launois P, Petricek V and Breczewski T (2001) Disorder versus structure analysis in intergrowth urea inclusion compounds, Journal of Physics: Condensed Matter, 10.1088/0953-8984/13/8/304, 13:8, (1653-1668), Online publication date: 26-Feb-2001. Le Lann H, Odin C, Toudic B, Ameline J, Gallier J, Guillaume F and Breczewski T (2000) Single-crystal deuterium NMR study of the symmetry breaking in an incommensurate organic inclusion compound, Physical Review B, 10.1103/PhysRevB.62.5442, 62:9, (5442-5451) Serrano-González H and Harris K (2000) Structural aspects of a commensurate tunnel inclusion compound of tri-ortho-thymotide containing 1,8-dibromooctane guest molecules, Journal of Molecular Structure, 10.1016/S0022-2860(99)00279-3, 519:1-3, (41-54), Online publication date: 1-Feb-2000. Yeo L and Harris K (1999) Temperature-dependent structural properties of a solid urea inclusion compound containing chiral guest molecules: 2-bromotetradecane/urea, Canadian Journal of Chemistry, 10.1139/v99-215, 77:12, (2105-2118), Online publication date: 5-Dec-1999. Harris K (2013) Towards a Fundamental Understanding of Urea and Thiourea inclusion Compounds, Journal of the Chinese Chemical Society, 10.1002/jccs.199900002, 46:1, (5-22), Online publication date: 1-Feb-1999. Khan A, Bramwell S, Harris K, Kariuki B and Truter M (1999) The design of a molecularly selective capillary based on an incommensurate intergrowth structure, Chemical Physics Letters, 10.1016/S0009-2614(99)00475-3, 307:5-6, (320-326), Online publication date: 1-Jul-1999. Lee S and Harris K (1999) Controlling the crystal morphology of one-dimensional tunnel structures: induced crystallization of alkane/urea inclusion compounds as hexagonal flat plates, Chemical Physics Letters, 10.1016/S0009-2614(99)00558-8, 307:5-6, (327-332), Online publication date: 1-Jul-1999. Frey F and Boysen H (1998) Low dimensional diffuse scattering, Phase Transitions, 10.1080/01411599808219196, 67:1, (245-276), Online publication date: 1-Oct-1998. Elizabé, L, Yeo L, Harris K, Sankar G and Thomas J (1998) Conformational Properties of Guest Molecules in Constrained Solid-State Environments: Bromine K-Edge X-ray Absorption Spectroscopy of 2-Bromoalkane/Urea Inclusion Compounds, Chemistry of Materials, 10.1021/cm9704802, 10:5, (1220-1226), Online publication date: 1-May-1998. Ollivier J, Ecolivet C, Beaufils S, Guillaume F and Breczewski T (2007) Light scattering by low-frequency excitations in quasi-periodic n -alkane/urea adducts , Europhysics Letters (EPL), 10.1209/epl/i1998-00395-x, 43:5, (546-551), Online publication date: 1-Sep-1998. Girard P, Aliev A, Guillaume F, Harris K, Hollingsworth M, Dianoux A and Jonsen P (1998) Dynamic properties of dioctanoyl peroxide guest molecules constrained within the urea tunnel structure: A combined incoherent quasielastic neutron scattering and solid state 2H nuclear magnetic resonance investigation, The Journal of Chemical Physics, 10.1063/1.477008, 109:10, (4078-4089), Online publication date: 8-Sep-1998. Harris K and Jupp P (1997) Stochastic models for guest–guest interactions in one–dimensional inclusion compounds, Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, 453:1957, (333-352), Online publication date: 8-Feb-1997. Yeo L, Harris K and Guillaume F (1997) Temperature-Dependent Structural Properties of the 1,10-Decanedicarboxylic Acid/Urea Inclusion Compound, Journal of Solid State Chemistry, 10.1006/jssc.1996.7218, 128:2, (273-281), Online publication date: 1-Feb-1997. Hollingsworth M (1996) Inclusion compounds, Current Opinion in Solid State and Materials Science, 10.1016/S1359-0286(96)80067-2, 1:4, (514-521), Online publication date: 1-Aug-1996. Lefort R, Etrillard J, Toudic B, Guillaume F, Breczewski T and Bourges P (1996) Incommensurate Intermodulation of an Organic Intergrowth Compound Observed by Neutron Scattering, Physical Review Letters, 10.1103/PhysRevLett.77.4027, 77:19, (4027-4030) Harris K, Palmer B and Edwards-Gau G (2012) Reactions in Solid-State Inclusion Compounds Supramolecular Chemistry, 10.1002/9780470661345.smc164 This Issue08 March 1996Volume 452Issue 1946 Article InformationDOI:https://doi.org/10.1098/rspa.1996.0034Published by:Royal SocietyPrint ISSN:1364-5021Online ISSN:1471-2946History: Manuscript received02/08/1994Manuscript accepted28/02/1995Published online01/01/1997Published in print01/01/1996 License:Scanned images copyright © 2017, Royal Society Citations and impact

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