High-pressure polymorphism in L-threonine between ambient pressure and 22 GPa

Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon

doi:10.1039/c9ce00388f

Title: High-pressure polymorphism in L-threonine between ambient pressure and 22 GPa

Journal Article · Thu May 09 00:00:00 EDT 2019 · CrystEngComm

DOI:https://doi.org/10.1039/c9ce00388f· OSTI ID:1580405

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Univ. of Edinburgh, Scotland (United Kingdom); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Univ. of California, Santa Cruz, CA (United States)
Univ. of Edinburgh, Scotland (United Kingdom)
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Pulsed Neutron and Muon Facility
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Daresbury Lab. (United Kingdom). Council for the Central Lab. of the Research Councils (CCLRC). Synchrotron Radiation Source
Cambridge Crystallographic Data Centre; Cambridge; UK

The crystal structure of L-threonine has been studied to a maximum pressure of 22.3 GPa using single-crystal X-ray and neutron powder diffraction. The data have been interpreted in the light of previous Raman spectroscopic data by Holanda et al. (J. Mol. Struct. (2015), 1092, 160–165) in which it is suggested that three phase transitions occur at ca. 2 GPa, between 8.2 and 9.2 GPa and between 14.0 and 15.5 GPa. In the first two of these transitions the crystal retains its P2₁2₁2₁ symmetry, in the third, although the unit cell dimensions are similar either side of the transition, the space group symmetry drops to P2₁. The ambient pressure form is labelled phase I, with the successive high-pressure forms designated I', II and III, respectively. Phases I and I' are very similar, the transition being manifested by a slight rotation of the carboxylate group. Phase II, which was found to form between 8.5 and 9.2 GPa, follows the gradual transformation of a long-range electrostatic contact becoming a hydrogen bond between 2.0 and 8.5 GPa, so that the transformation reflects a change in the way the structure accommodates compression rather than a gross change of structure. Phase III, which was found to form above 18.2 GPa in this work, is characterised by the bifurcation of a hydroxyl group in half of the molecules in the unit cell. Density functional theory (DFT) geometry optimisations were used to validate high-pressure structural models and PIXEL crystal lattice and intermolecular interaction energies are used to explain phase stabilities in terms of the intermolecular interactions.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1580405

Journal Information:: CrystEngComm, Vol. 21, Issue 30; ISSN 1466-8033

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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References (74)

High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R. CrystEngComm, Vol. 10, Issue 12 https://doi.org/10.1039/b810746g	journal	January 2008
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability Parrish, Robert M.; Burns, Lori A.; Smith, Daniel G. A. Journal of Chemical Theory and Computation, Vol. 13, Issue 7 https://doi.org/10.1021/acs.jctc.7b00174	journal	June 2017
Effects of pressure on the structure and lattice dynamics of α-glycine: a combined experimental and theoretical study Hinton, Jasmine K.; Clarke, Samantha M.; Steele, Brad A. CrystEngComm, Vol. 21, Issue 30 https://doi.org/10.1039/c8ce02123f	journal	January 2019
Unusually complex phase of dense nitrogen at extreme conditions Turnbull, Robin; Hanfland, Michael; Binns, Jack Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07074-4	journal	November 2018
Bimodal Distribution of the Shortest Intermolecular Contacts in Crystals of Organic Compounds Kaźmierczak, Michał; Katrusiak, Andrzej Crystal Growth & Design, Vol. 14, Issue 5 https://doi.org/10.1021/cg4018008	journal	April 2014
Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on l -Serine Fisch, Martin; Lanza, Arianna; Boldyreva, Elena The Journal of Physical Chemistry C, Vol. 119, Issue 32 https://doi.org/10.1021/acs.jpcc.5b05838	journal	July 2015
FCC–HCP phase boundary in lead Kuznetsov, A.; Dmitriev, V.; Dubrovinsky, L. Solid State Communications, Vol. 122, Issue 3-4 https://doi.org/10.1016/S0038-1098(02)00112-6	journal	April 2002
Evidence from x-ray diffraction of orientational ordering in phase III of solid hydrogen at pressures up to 183 GPa Akahama, Yuichi; Nishimura, Manabu; Kawamura, Haruki Physical Review B, Vol. 82, Issue 6 https://doi.org/10.1103/PhysRevB.82.060101	journal	August 2010
New software for searching the Cambridge Structural Database and visualizing crystal structures Bruno, Ian J.; Cole, Jason C.; Edgington, Paul R. Acta Crystallographica Section B Structural Science, Vol. 58, Issue 3 https://doi.org/10.1107/S0108768102003324	journal	May 2002
Behavior of intermolecular interactions in α-glycine under high pressure Shinozaki, Ayako; Komatsu, Kazuki; Kagi, Hiroyuki The Journal of Chemical Physics, Vol. 148, Issue 4 https://doi.org/10.1063/1.5009980	journal	January 2018
Effect of pressure on the crystal structure of L -serine-I and the crystal structure of L -serine-II at 5.4 GPa Moggach, Stephen A.; Allan, David R.; Morrison, Carole A. Acta Crystallographica Section B Structural Science, Vol. 61, Issue 1 https://doi.org/10.1107/S0108768104031787	journal	January 2005
Pressure-induced phase transitions in crystalline l-serine studied by single-crystal and high-resolution powder X-ray diffraction Boldyreva, E. V.; Sowa, H.; Seryotkin, Yu. V. Chemical Physics Letters, Vol. 429, Issue 4-6 https://doi.org/10.1016/j.cplett.2006.08.092	journal	October 2006
ζ-Glycine: insight into the mechanism of a polymorphic phase transition Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano IUCrJ, Vol. 4, Issue 5 https://doi.org/10.1107/S205225251701096X	journal	September 2017
High pressure solid phases of benzene. I. Raman and x‐ray studies of C ₆ H ₆ at 294 K up to 25 GPa Thiéry, M. M.; Léger, J. M. The Journal of Chemical Physics, Vol. 89, Issue 7 https://doi.org/10.1063/1.454809	journal	October 1988
High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 72, Issue 3 https://doi.org/10.1107/S2052520616007435	journal	May 2016
Use of a CCD diffractometer in crystal structure determinations at high pressure Dawson, Alice; Allan, David R.; Parsons, Simon Journal of Applied Crystallography, Vol. 37, Issue 3 https://doi.org/10.1107/S0021889804007149	journal	May 2004
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller–Plesset perturbation theory natural orbitals Hohenstein, Edward G.; Sherrill, C. David The Journal of Chemical Physics, Vol. 133, Issue 10 https://doi.org/10.1063/1.3479400	journal	September 2010
Single-Crystal Structural Characterization of the Metallic Phase of Oxygen Weck, G.; Desgreniers, S.; Loubeyre, P. Physical Review Letters, Vol. 102, Issue 25 https://doi.org/10.1103/PhysRevLett.102.255503	journal	June 2009
Compressibility of solids Vinet, P.; Ferrante, J.; Rose, J. H. Journal of Geophysical Research, Vol. 92, Issue B9 https://doi.org/10.1029/JB092iB09p09319	journal	January 1987
Single-bonded cubic form of nitrogen Eremets, Mikhail I.; Gavriliuk, Alexander G.; Trojan, Ivan A. Nature Materials, Vol. 3, Issue 8 https://doi.org/10.1038/nmat1146	journal	July 2004
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data Tkatchenko, Alexandre; Scheffler, Matthias Physical Review Letters, Vol. 102, Issue 7 https://doi.org/10.1103/PhysRevLett.102.073005	journal	February 2009
Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R ₁ fluorescence pressure gauge from 0.06 to 1 Mbar Mao, H. K.; Bell, P. M.; Shaner, J. W. Journal of Applied Physics, Vol. 49, Issue 6 https://doi.org/10.1063/1.325277	journal	June 1978
Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine Dawson, Alice; Allan, David R.; Belmonte, Scott A. Crystal Growth & Design, Vol. 5, Issue 4 https://doi.org/10.1021/cg049716m	journal	July 2005
Miniature diamond anvil pressure cell for single crystal x‐ray diffraction studies Merrill, Leo; Bassett, William A. Review of Scientific Instruments, Vol. 45, Issue 2 https://doi.org/10.1063/1.1686607	journal	February 1974
OLEX2 : a complete structure solution, refinement and analysis program Dolomanov, Oleg V.; Bourhis, Luc J.; Gildea, Richard J. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/S0021889808042726	journal	January 2009
Raman and infrared spectroscopy of pyridine under high pressure Zhuravlev, Kirill K.; Traikov, Katrina; Dong, Zhaohui Physical Review B, Vol. 82, Issue 6 https://doi.org/10.1103/PhysRevB.82.064116	journal	August 2010
New high-pressure van der Waals compound Kr(H2)4 discovered in the krypton-hydrogen binary system Kleppe, Annette K.; Amboage, Mónica; Jephcoat, Andrew P. Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep04989	journal	May 2014
BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements Kantor, I.; Prakapenka, V.; Kantor, A. Review of Scientific Instruments, Vol. 83, Issue 12, Article No. 125102 https://doi.org/10.1063/1.4768541	journal	December 2012
The Crystal Structure of L _s -Threonine ¹ Shoemaker, David P.; Donohue, Jerry; Schomaker, Verner Journal of the American Chemical Society, Vol. 72, Issue 6 https://doi.org/10.1021/ja01162a002	journal	June 1950
A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations Wood, Peter A.; Francis, Duncan; Marshall, William G. CrystEngComm, Vol. 10, Issue 9 https://doi.org/10.1039/b801571f	journal	January 2008
X-ray crystallography of simple molecular solids up to megabar pressures: application to solid oxygen and carbon dioxide Datchi, Dr. Frédéric; Weck, Dr. Gunnar Zeitschrift für Kristallographie – Crystalline Materials, Vol. 229, Issue 2 https://doi.org/10.1515/zkri-2013-1669	journal	January 2014
SHELXT – Integrated space-group and crystal-structure determination Sheldrick, George M. Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053273314026370	journal	January 2015
Pressure-induced phase transitions in L -alanine, revisited Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A. Acta Crystallographica Section B Structural Science, Vol. 66, Issue 4 https://doi.org/10.1107/S010876811001983X	journal	July 2010
New pressure-induced phase transitions of l-threonine crystal: A Raman spectroscopic study Holanda, R. O.; Lima, J. A.; Freire, P. T. C. Journal of Molecular Structure, Vol. 1092 https://doi.org/10.1016/j.molstruc.2015.03.024	journal	July 2015
Crystal structures of amino acids: from bond lengths in glycine to metal complexes and high-pressure polymorphs Görbitz, Carl Henrik Crystallography Reviews, Vol. 21, Issue 3 https://doi.org/10.1080/0889311X.2014.964229	journal	February 2015
New anvil designs in diamond-cells Boehler, Reinhard; De Hantsetters, Koen High Pressure Research, Vol. 24, Issue 3 https://doi.org/10.1080/08957950412331323924	journal	September 2004
Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures Macrae, Clare F.; Bruno, Ian J.; Chisholm, James A. Journal of Applied Crystallography, Vol. 41, Issue 2 https://doi.org/10.1107/S0021889807067908	journal	March 2008
Pressure-driven phase transition mechanisms revealed by quantum chemistry: l -serine polymorphs Rychkov, Denis A.; Stare, Jernej; Boldyreva, Elena V. Physical Chemistry Chemical Physics, Vol. 19, Issue 9 https://doi.org/10.1039/C6CP07721H	journal	January 2017
Compressed Arsenolite As ₄ O ₆ and Its Helium Clathrate As ₄ O ₆ ·2He Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej Crystal Growth & Design, Vol. 15, Issue 8 https://doi.org/10.1021/acs.cgd.5b00390	journal	June 2015
Structure validation in chemical crystallography Spek, Anthony L. Acta Crystallographica Section D Biological Crystallography, Vol. 65, Issue 2, p. 148-155 https://doi.org/10.1107/S090744490804362X	journal	January 2009
High-pressure polymorphism in L -cysteine: the crystal structures of L -cysteine-III and L -cysteine-IV Moggach, Stephen A.; Allan, David R.; Clark, Stewart J. Acta Crystallographica Section B Structural Science, Vol. 62, Issue 2 https://doi.org/10.1107/S0108768105038802	journal	March 2006
Confirmation of the Structural Phase Transitions in XeF ₂ under High Pressure Wu, Gang; Huang, Xiaoli; Huang, Yanping The Journal of Physical Chemistry C, Vol. 121, Issue 11 https://doi.org/10.1021/acs.jpcc.6b11558	journal	March 2017
UV Raman Analysis of the C:H Network Formed by Compression of Benzene Jackson, B. R.; Trout, C. C.; Badding, J. V. Chemistry of Materials, Vol. 15, Issue 9 https://doi.org/10.1021/cm021009y	journal	May 2003
Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies Gavezzotti, Angelo New Journal of Chemistry, Vol. 35, Issue 7 https://doi.org/10.1039/c0nj00982b	journal	January 2011
How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine Moggach, Stephen A.; Marshall, William G.; Rogers, David M. CrystEngComm, Vol. 17, Issue 28 https://doi.org/10.1039/C5CE00327J	journal	January 2015
High-pressure structural study of L -α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9 GPa Lozano-Casal, P.; Allan, D. R.; Parsons, S. Acta Crystallographica Section B Structural Science, Vol. 64, Issue 4 https://doi.org/10.1107/S010876810801793X	journal	July 2008
High-pressure neutron diffraction study of L -serine-I and L -serine-II, and the structure of L -serine-III at 8.1 GPa Moggach, Stephen A.; Marshall, William G.; Parsons, Simon Acta Crystallographica Section B Structural Science, Vol. 62, Issue 5 https://doi.org/10.1107/S010876810601799X	journal	September 2006
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Polymorphism in Benzene, Naphthalene, and Anthracene at High Pressure Block, S.; Weir, C. E.; Piermarini, G. J. Science, Vol. 169, Issue 3945 https://doi.org/10.1126/science.169.3945.586	journal	August 1970
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ Coelho, Alan A. Journal of Applied Crystallography, Vol. 51, Issue 1 https://doi.org/10.1107/S1600576718000183	journal	February 2018
High-pressure polymorphism in amino acids Moggach, Stephen A.; Parsons, Simon; Wood, Peter A. Crystallography Reviews, Vol. 14, Issue 2 https://doi.org/10.1080/08893110802037945	journal	April 2008
Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93 GPa Wood, Peter A.; Forgan, Ross S.; Henderson, David Acta Crystallographica Section B Structural Science, Vol. 62, Issue 6 https://doi.org/10.1107/S0108768106031752	journal	November 2006
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro Blatov, Vladislav A.; Shevchenko, Alexander P.; Proserpio, Davide M. Crystal Growth & Design, Vol. 14, Issue 7 https://doi.org/10.1021/cg500498k	journal	May 2014
Quantitative estimate of cohesion forces Kaźmierczak, Michał; Katrusiak, Andrzej CrystEngComm, Vol. 17, Issue 48 https://doi.org/10.1039/C5CE01942G	journal	January 2015
Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon CrystEngComm, Vol. 13, Issue 19 https://doi.org/10.1039/c1ce05487b	journal	January 2011
Crystal structure refinement with SHELXL Sheldrick, George M. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053229614024218	journal	January 2015
Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Møller–Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations Maschio, Lorenzo; Civalleri, Bartolomeo; Ugliengo, Piero The Journal of Physical Chemistry A, Vol. 115, Issue 41 https://doi.org/10.1021/jp203132k	journal	October 2011
Chemical Crystallography at the Advanced Light Source McCormick, Laura; Giordano, Nico; Teat, Simon Crystals, Vol. 7, Issue 12 https://doi.org/10.3390/cryst7120382	journal	December 2017
Hydrogen-bond directionality at the donor H atom—analysis of interaction energies and database statistics Wood, Peter A.; Allen, Frank H.; Pidcock, Elna CrystEngComm, Vol. 11, Issue 8 https://doi.org/10.1039/b902330e	journal	January 2009
Determination of Proton Transfer Energies and Lattice Energies of Several Amino Acid Zwitterions No, Kyoung Tai; Cho, Kwang Hwi; Kwon, Oh Young The Journal of Physical Chemistry, Vol. 98, Issue 42 https://doi.org/10.1021/j100093a012	journal	October 1994
Structure and reactivity of pyridine crystal under pressure Fanetti, Samuele; Citroni, Margherita; Bini, Roberto The Journal of Chemical Physics, Vol. 134, Issue 20 https://doi.org/10.1063/1.3591973	journal	May 2011
Pressure-Driven Orbital Reorientations and Coordination-Sphere Reconstructions in [CuF2(H2O)2(pyz)] Prescimone, Alessandro; Morien, Chelsey; Allan, David Angewandte Chemie International Edition, Vol. 51, Issue 30 https://doi.org/10.1002/anie.201202367	journal	May 2012
Enthalpy of sublimation of hydroxyl-containing amino acids: Knudsen’s effusion mass spectrometric study Tyunina, Valeriya V.; Krasnov, Alexandr V.; Badelin, Valentin G. The Journal of Chemical Thermodynamics, Vol. 98 https://doi.org/10.1016/j.jct.2016.02.021	journal	July 2016
Incorporation of a new design of backing seat and anvil in a Merrill–Bassett diamond anvil cell Moggach, Stephen A.; Allan, David R.; Parsons, Simon Journal of Applied Crystallography, Vol. 41, Issue 2 https://doi.org/10.1107/S0021889808000514	journal	March 2008
The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source Rivers, Mark; Prakapenka, Vitali; Kubo, Atsushi High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802333593	journal	September 2008
L -Serine III at 8.0 GPa Drebushchak, Tatiana N.; Sowa, Heidrun; Seryotkin, Yuryi V. Acta Crystallographica Section E Structure Reports Online, Vol. 62, Issue 9 https://doi.org/10.1107/S1600536806032508	journal	August 2006
High-pressure Raman spectra ofL-threonine crystal Silva, B. L.; Freire, P. T. C.; Melo, F. E. A. Journal of Raman Spectroscopy, Vol. 31, Issue 6 https://doi.org/10.1002/1097-4555(200006)31:6<519::AID-JRS567>3.0.CO;2-X	journal	January 2000
High pressure Raman spectra of d-threonine crystal Holanda, R. O.; Freire, P. T. C.; Silva, J. A. F. Vibrational Spectroscopy, Vol. 67 https://doi.org/10.1016/j.vibspec.2013.03.003	journal	July 2013
X-Ray Diffraction under Extreme Conditions at the Advanced Light Source Stan, Camelia; Beavers, Christine; Kunz, Martin Quantum Beam Science, Vol. 2, Issue 1 https://doi.org/10.3390/qubs2010004	journal	January 2018
Pressure-Driven Orbital Reorientations and Coordination-Sphere Reconstructions in [CuF2(H2O)2(pyz)] Prescimone, Alessandro; Morien, Chelsey; Allan, David Angewandte Chemie, Vol. 124, Issue 30 https://doi.org/10.1002/ange.201202367	journal	May 2012
Quantum dissipation driven by electron transfer within a single molecule investigated with atomic force microscopy Berger, Jan; Ondráček, Martin; Stetsovych, Oleksandr Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15054-w	journal	March 2020
Quantitative estimate of cohesion forces Kaźmierczak, Michał; Katrusiak, Andrzej Acta Crystallographica Section A Foundations and Advances, Vol. 72, Issue a1 https://doi.org/10.1107/s2053273316095012	journal	August 2016
Unusually complex phase of dense nitrogen at extreme conditions Turnbull, Robin; Hanfland, Michael; Binns, Jack Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-04749	text	January 2018
Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on l -Serine Casati, Nicola; Macchi, Piero; Fisch, Martin American Chemical Society https://doi.org/10.7892/boris.73114	text	January 2015

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CCDC 1903576: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtpg The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903577: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtqh The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903578: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtrj The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903579: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtsk The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903580: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wttl The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903581: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtvm The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903582: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtwn The current record is supplemented by this dataset	dataset	January 2019
CCDC 1903583: Experimental Crystal Structure Determination Nico, Giordano,; M., Beavers, Christine; V., Kamenev, Konstantin https://doi.org/10.5517/ccdc.csd.cc21wtxp The current record is supplemented by this dataset	dataset	January 2019