Study of Physicochemical and Explosive Properties of a 2,4,6-Trinitrotoluene/Aniline Cocrystal Solvate
Abstract
In the development of crystal engineering and supramolecular chemistry, cocrystallization has been used as a way to develop novel explosives with tailored properties. We present a novel cocrystal solvate composed of 2,4,6-trinitrotoluene (TNT) and aniline that exhibits unique physicochemical and explosive properties. X-ray diffraction studies reveal the crystallographic structure to contain TNT and aniline in a 1:1 molecular ratio. The crystals themselves exhibit a vibrant, ruby red color that likely results due to a charge-transfer interaction between the overlapping π-orbitals of the aromatic rings. The most notable evidence for a charge-transfer complex is the appearance of a broad absorbance peak in the visible region which is not present in the spectrum of either pure component. Comparisons of the cocrystal solvate to that of pure TNT are conducted to determine thermodynamic and kinetic parameters using both experimental and theoretical techniques. Lastly, the desolvation of aniline from the cocrystal solvate was also investigated using both in situ powder X-ray diffraction and atomic force microscopy measurements to monitor changes in the crystal structure and surface topography, respectively.
- Authors:
-
[1];
[1];
[1];
[1];
[1];
- Texas Tech Univ., Lubbock, TX (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1592023
- Report Number(s):
- LLNL-JRNL-797707
Journal ID: ISSN 1528-7483; 997954
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Crystal Growth and Design
- Additional Journal Information:
- Journal Volume: 20; Journal Issue: 1; Journal ID: ISSN 1528-7483
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Fondren, Nadia S., Fondren, Zachary T., Unruh, Daniel K., Maiti, Amitesh, Cozzolino, Anthony, Lee, Yong Joon, Hope-Weeks, Louisa, and Weeks, Brandon L. Study of Physicochemical and Explosive Properties of a 2,4,6-Trinitrotoluene/Aniline Cocrystal Solvate. United States: N. p., 2019.
Web. doi:10.1021/acs.cgd.9b00779.
Fondren, Nadia S., Fondren, Zachary T., Unruh, Daniel K., Maiti, Amitesh, Cozzolino, Anthony, Lee, Yong Joon, Hope-Weeks, Louisa, & Weeks, Brandon L. Study of Physicochemical and Explosive Properties of a 2,4,6-Trinitrotoluene/Aniline Cocrystal Solvate. United States. https://doi.org/10.1021/acs.cgd.9b00779
Fondren, Nadia S., Fondren, Zachary T., Unruh, Daniel K., Maiti, Amitesh, Cozzolino, Anthony, Lee, Yong Joon, Hope-Weeks, Louisa, and Weeks, Brandon L. Tue .
"Study of Physicochemical and Explosive Properties of a 2,4,6-Trinitrotoluene/Aniline Cocrystal Solvate". United States. https://doi.org/10.1021/acs.cgd.9b00779. https://www.osti.gov/servlets/purl/1592023.
@article{osti_1592023,
title = {Study of Physicochemical and Explosive Properties of a 2,4,6-Trinitrotoluene/Aniline Cocrystal Solvate},
author = {Fondren, Nadia S. and Fondren, Zachary T. and Unruh, Daniel K. and Maiti, Amitesh and Cozzolino, Anthony and Lee, Yong Joon and Hope-Weeks, Louisa and Weeks, Brandon L.},
abstractNote = {In the development of crystal engineering and supramolecular chemistry, cocrystallization has been used as a way to develop novel explosives with tailored properties. We present a novel cocrystal solvate composed of 2,4,6-trinitrotoluene (TNT) and aniline that exhibits unique physicochemical and explosive properties. X-ray diffraction studies reveal the crystallographic structure to contain TNT and aniline in a 1:1 molecular ratio. The crystals themselves exhibit a vibrant, ruby red color that likely results due to a charge-transfer interaction between the overlapping π-orbitals of the aromatic rings. The most notable evidence for a charge-transfer complex is the appearance of a broad absorbance peak in the visible region which is not present in the spectrum of either pure component. Comparisons of the cocrystal solvate to that of pure TNT are conducted to determine thermodynamic and kinetic parameters using both experimental and theoretical techniques. Lastly, the desolvation of aniline from the cocrystal solvate was also investigated using both in situ powder X-ray diffraction and atomic force microscopy measurements to monitor changes in the crystal structure and surface topography, respectively.},
doi = {10.1021/acs.cgd.9b00779},
journal = {Crystal Growth and Design},
number = 1,
volume = 20,
place = {United States},
year = {Tue Dec 03 00:00:00 EST 2019},
month = {Tue Dec 03 00:00:00 EST 2019}
}
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Works referenced in this record:
Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)
journal, June 2012
- Landenberger, Kira B.; Matzger, Adam J.
- Crystal Growth & Design, Vol. 12, Issue 7
Cocrystals Definitions
journal, December 2007
- Lara-Ochoa, F.; Espinosa-PÉRez, G.
- Supramolecular Chemistry, Vol. 19, Issue 8
The Reemergence of Cocrystals: The Crystal Clear Writing Is on the WallIntroduction to Virtual Special Issue on Pharmaceutical Cocrystals
journal, August 2009
- ,
- Crystal Growth & Design, Vol. 9, Issue 10
Five Energetic Cocrystals of BTF by Intermolecular Hydrogen Bond and π-Stacking Interactions
journal, January 2013
- Zhang, Haobin; Guo, Changyan; Wang, Xiaochuan
- Crystal Growth & Design, Vol. 13, Issue 2
Study on a novel energetic cocrystal of TNT/TNB
journal, September 2012
- Guo, Changyan; Zhang, Haobin; Wang, Xiaochuan
- Journal of Materials Science, Vol. 48, Issue 3
Discovering New Co-Crystals
journal, January 2009
- ter Horst, J. H.; Deij, M. A.; Cains, P. W.
- Crystal Growth & Design, Vol. 9, Issue 3
The role of cocrystals in pharmaceutical science
journal, May 2008
- Shan, Ning; Zaworotko, Michael J.
- Drug Discovery Today, Vol. 13, Issue 9-10
Molecules to Crystals, Crystals to Molecules ... and Back Again?
journal, January 2007
- Zaworotko, Michael J.
- Crystal Growth & Design, Vol. 7, Issue 1
Counterpoint: What's in a Name?
journal, November 2004
- Desiraju, Gautam R.
- Crystal Growth & Design, Vol. 4, Issue 6
Preparation and Performance of a HNIW/TNT Cocrystal Explosive
journal, January 2013
- Yang, Zongwei; Li, Hongzhen; Huang, Hui
- Propellants, Explosives, Pyrotechnics, Vol. 38, Issue 4
Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene
journal, December 2010
- Landenberger, Kira B.; Matzger, Adam J.
- Crystal Growth & Design, Vol. 10, Issue 12
High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX
journal, August 2012
- Bolton, Onas; Simke, Leah R.; Pagoria, Philip F.
- Crystal Growth & Design, Vol. 12, Issue 9
A 1:1 co-crystal of quinol and pyridine
journal, October 2004
- Oswald, Iain D. H.; Motherwell, W. D. Sam; Parsons, Simon
- Acta Crystallographica Section E Structure Reports Online, Vol. 60, Issue 11
Preparation and Characterization of a Novel Cocrystal Explosive
journal, May 2011
- Shen, Jin P.; Duan, Xiao H.; Luo, Qing P.
- Crystal Growth & Design, Vol. 11, Issue 5
Crystal and co-crystal: a second opinion
journal, January 2003
- Dunitz, Jack D.
- CrystEngComm, Vol. 5, Issue 91
Five New Pseudopolymorphs of s ym -Trinitrobenzene
journal, October 2003
- Jetti, Ram K. R.; Boese, Roland; Thallapally, Praveen K.
- Crystal Growth & Design, Vol. 3, Issue 6
Pseudo polymorph: A Polemic
journal, November 2004
- Seddon, Kenneth R.
- Crystal Growth & Design, Vol. 4, Issue 6
...And Another Comment on P seudo polymorphism
journal, September 2005
- Bernstein, Joel
- Crystal Growth & Design, Vol. 5, Issue 5
Pseudopolymorph: Retain This Widely Accepted Term
journal, January 2006
- Nangia, Ashwini
- Crystal Growth & Design, Vol. 6, Issue 1
Pharmaceutical Co-Crystals
journal, March 2006
- Vishweshwar, Peddy; McMahon, Jennifer A.; Bis, Joanna A.
- Journal of Pharmaceutical Sciences, Vol. 95, Issue 3
Crystal engineering of active pharmaceutical ingredients to improve solubility and dissolution rates
journal, July 2007
- Blagden, N.; de Matas, M.; Gavan, P. T.
- Advanced Drug Delivery Reviews, Vol. 59, Issue 7
Pharmaceutical cocrystals: An overview
journal, October 2011
- Qiao, Ning; Li, Mingzhong; Schlindwein, Walkiria
- International Journal of Pharmaceutics, Vol. 419, Issue 1-2
Diversity in Single- and Multiple-Component Crystals. The Search for and Prevalence of Polymorphs and Cocrystals
journal, June 2007
- Stahly, G. Patrick
- Crystal Growth & Design, Vol. 7, Issue 6
Solvates, Salts, and Cocrystals: A Proposal for a Feasible Classification System
journal, May 2016
- Grothe, E.; Meekes, H.; Vlieg, E.
- Crystal Growth & Design, Vol. 16, Issue 6
Synthesis of polyazapolycyclic caged polynitramines
journal, September 1998
- Nielsen, Arnold T.; Chafin, Andrew P.; Christian, Stephen L.
- Tetrahedron, Vol. 54, Issue 39
1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions
journal, December 1998
- Bemm, U.; Östmark, H.
- Acta Crystallographica Section C Crystal Structure Communications, Vol. 54, Issue 12
Mussel-inspired coating of energetic crystals: A compact core–shell structure with highly enhanced thermal stability
journal, February 2017
- Gong, Feiyan; Zhang, Jianhu; Ding, Ling
- Chemical Engineering Journal, Vol. 309
Investigation of Nitramine-Based Amorphous Energetics
journal, October 2015
- Stepanov, Victor; Patel, Rajen B.; Mudryy, Ruslan
- Propellants, Explosives, Pyrotechnics, Vol. 41, Issue 1
Kinetics of Solid Polymorphic Phase Transitions of CL-20
journal, August 2007
- Li, Jun; Brill, Thomas B.
- Propellants, Explosives, Pyrotechnics, Vol. 32, Issue 4
New Insights into the Metastable β Form of RDX
journal, January 2012
- Goldberg, Ilana G.; Swift, Jennifer A.
- Crystal Growth & Design, Vol. 12, Issue 2
Creating Cocrystals: A Review of Pharmaceutical Cocrystal Preparation Routes and Applications
journal, August 2018
- Karimi-Jafari, Maryam; Padrela, Luis; Walker, Gavin M.
- Crystal Growth & Design, Vol. 18, Issue 10
Nanoscale 2CL-20·HMX high explosive cocrystal synthesized by bead milling
journal, January 2015
- Qiu, Hongwei; Patel, Rajen B.; Damavarapu, Reddy S.
- CrystEngComm, Vol. 17, Issue 22
Directly Insight Into the Inter- and Intramolecular Interactions of CL-20/TNT Energetic Cocrystal through the Theoretical Simulations of THz Spectroscopy
journal, February 2016
- Shi, Lu; Duan, Xiao-Hui; Zhu, Li-Guo
- The Journal of Physical Chemistry A, Vol. 120, Issue 8
Nano-CL-20/HMX Cocrystal Explosive for Significantly Reduced Mechanical Sensitivity
journal, January 2017
- An, Chongwei; Li, Hequn; Ye, Baoyun
- Journal of Nanomaterials, Vol. 2017
Crystal engineering of energetic materials: Co-crystals of CL-20
journal, January 2012
- Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.
- CrystEngComm, Vol. 14, Issue 10
Characterization and Properties of a Novel Energetic–Energetic Cocrystal Explosive Composed of HNIW and BTF
journal, October 2012
- Yang, Zongwei; Li, Hongzhen; Zhou, Xiaoqing
- Crystal Growth & Design, Vol. 12, Issue 11
Facile, continuous and large-scale synthesis of CL-20/HMX nano co-crystals with high-performance by ultrasonic spray-assisted electrostatic adsorption method
journal, January 2014
- Gao, Bing; Wang, Dunju; Zhang, Juan
- J. Mater. Chem. A, Vol. 2, Issue 47
Preparation and Performance of Nano HMX/TNT Cocrystals
journal, May 2015
- Li, Hequn; An, Chongwei; Guo, Wenjian
- Propellants, Explosives, Pyrotechnics, Vol. 40, Issue 5
Polymorphism, twinning and morphology of crystals of 2,4,6-trinitrotoluene grown from solution
journal, January 1996
- Gallagher, Hugh G.; Sherwood, John N.
- Journal of the Chemical Society, Faraday Transactions, Vol. 92, Issue 12
Polymorphism in 2-4-6 Trinitrotoluene
journal, November 2003
- Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.
- Crystal Growth & Design, Vol. 3, Issue 6
Polymorphism in 2,4,6-Trinitrotoluene Crystallized from Solution
journal, March 2001
- Vrcelj, Ranko M.; Gallagher, Hugh G.; Sherwood, John N.
- Journal of the American Chemical Society, Vol. 123, Issue 10
Effects of Solution Conditions on Polymorph Development in 2,4,6-Trinitrotoluene
journal, November 2019
- Fondren, Nadia S.; Fondren, Zachary T.; Unruh, Daniel K.
- Crystal Growth & Design, Vol. 20, Issue 2
The use of amino compounds for binding 2,4,6-trinitrotoluene in water
journal, January 2001
- Fant, F.; De Sloovere, A.; Matthijsen, K.
- Environmental Pollution, Vol. 111, Issue 3
Resonance Energy Transfer-Amplifying Fluorescence Quenching at the Surface of Silica Nanoparticles toward Ultrasensitive Detection of TNT
journal, November 2008
- Gao, Daming; Wang, Zhenyang; Liu, Bianhua
- Analytical Chemistry, Vol. 80, Issue 22
Amine-Capped ZnS−Mn 2+ Nanocrystals for Fluorescence Detection of Trace TNT Explosive
journal, May 2008
- Tu, Renyong; Liu, Bianhua; Wang, Zhenyang
- Analytical Chemistry, Vol. 80, Issue 9
Gold Nanoparticle Based Label-Free SERS Probe for Ultrasensitive and Selective Detection of Trinitrotoluene
journal, September 2009
- Dasary, Samuel S. R.; Singh, Anant Kumar; Senapati, Dulal
- Journal of the American Chemical Society, Vol. 131, Issue 38
A colorimetric sensor based on anodized aluminum oxide (AAO) substrate for the detection of nitroaromatics
journal, December 2011
- Liu, Y.; Wang, H. H.; Indacochea, J. E.
- Sensors and Actuators B: Chemical, Vol. 160, Issue 1
Instant Visual Detection of Trinitrotoluene Particulates on Various Surfaces by Ratiometric Fluorescence of Dual-Emission Quantum Dots Hybrid
journal, June 2011
- Zhang, Kui; Zhou, Haibo; Mei, Qingsong
- Journal of the American Chemical Society, Vol. 133, Issue 22
Meisenheimer complex between 2,4,6-trinitrotoluene and 3-aminopropyltriethoxysilane and its use for a paper-based sensor
journal, September 2015
- Hughes, Shantelle; Dasary, Samuel S. R.; Begum, Salma
- Sensing and Bio-Sensing Research, Vol. 5
The Structure of Meisenheimer Complex as Determined by X-ray Crystal Analysis
journal, December 1968
- Ueda, Hideo; Sakabe, Noriyoshi; Tanaka, Jiro
- Bulletin of the Chemical Society of Japan, Vol. 41, Issue 12
Single-electron transfer in aromatic nucleophilic addition and substitution in aqueous media
journal, May 1988
- Bacaloglu, Radu.; Bunton, Clifford A.; Ortega, Francisco.
- Journal of the American Chemical Society, Vol. 110, Issue 11
Molecular Compounds and their Spectra. II
journal, February 1952
- Mulliken, Robert S.
- Journal of the American Chemical Society, Vol. 74, Issue 3
Molecular Compounds and their Spectra. III. The Interaction of Electron Donors and Acceptors
journal, July 1952
- Mulliken, Robert S.
- The Journal of Physical Chemistry, Vol. 56, Issue 7
The interaction of electron donors and acceptors
journal, January 1964
- Mulliken, Robert S.
- Journal de Chimie Physique, Vol. 61
A Study of Molecular Complexes Formed by Aniline and Aromatic Nitrohydrocarbons 1,2
journal, March 1952
- Landauer, J.; McConnell, Harden
- Journal of the American Chemical Society, Vol. 74, Issue 5
Molecular Compounds. V. Solvent Effects on Complexing of 1,3,5-Trinitrobenzene with Aniline and with Naphthalene
journal, September 1955
- Ross, Sidney D.; Labes, Mortimer M.
- Journal of the American Chemical Society, Vol. 77, Issue 18
Interaction of electron acceptors with bases. Part 15.—Determination of association constants of organic charge-transfer complexes by n.m.r. spectroscopy
journal, January 1965
- Foster, R.; Fyfe, C. A.
- Trans. Faraday Soc., Vol. 61, Issue 0
Interaction of electron acceptors with bases—XIX. The interaction of 1,3,5-trinitrobenzene with secondory amines in acetone solution
journal, January 1967
- Foster, R.; Fyfe, C. Y.
- Tetrahedron, Vol. 23, Issue 1
An Aromatic Amine—1,3,5-Trinitrobenzene σ-Complex
journal, January 1972
- Buncel, E.; Webb, J. G. K.
- Canadian Journal of Chemistry, Vol. 50, Issue 1
Vibrational Spectra of Some Charge-Transfer Complexes of Anilines
journal, January 1973
- Lichtfus, G.; Zeegers-Huyskens, Th.
- Bulletin des Sociétés Chimiques Belges, Vol. 82, Issue 1-2
Determination of dimerization constants of organic compounds by nmr spectrometric methods
journal, January 1978
- Park, Su-Moon; Herndon, William C.
- Tetrahedron Letters, Vol. 19, Issue 27
Evidence for an unusual charge-transfer complex in (nitrophenacyl)anilines
journal, September 1985
- Abdulla, Riaz F.; Boyd, Donald B.; Jones, Noel D.
- The Journal of Organic Chemistry, Vol. 50, Issue 19
THE SOLUBILITY OF TRINITROTOLUENE IN ORGANIC SOLVENTS 1
journal, January 1923
- Taylor, C. A.; Rinkenbach, Wm. H.
- Journal of the American Chemical Society, Vol. 45, Issue 1
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
journal, January 2015
- Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.
- Journal of Applied Crystallography, Vol. 48, Issue 1
A short history of SHELX
journal, December 2007
- Sheldrick, George M.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
Revealing the Charge-Transfer Interactions in Self-Assembled Organic Cocrystals: Two-Dimensional Photonic Applications
journal, April 2015
- Zhu, Weigang; Zheng, Renhui; Fu, Xiaolong
- Angewandte Chemie International Edition, Vol. 54, Issue 23
Crystal Growth, HOMO–LUMO Engineering, and Charge Transfer Degree in Perylene-F x TCNQ ( x = 1, 2, 4) Organic Charge Transfer Binary Compounds
journal, April 2016
- Hu, Peng; Du, Kezhao; Wei, Fengxia
- Crystal Growth & Design, Vol. 16, Issue 5
Charge-Transfer-Induced Fluorescence Quenching of Anthracene Derivatives and Selective Detection of Picric Acid
journal, January 2016
- Santra, Dines Chandra; Bera, Manas Kumar; Sukul, Pradip Kumar
- Chemistry - A European Journal, Vol. 22, Issue 6
Competition between Arene-Perfluoroarene and Charge-Transfer Interactions in Organic Light-Harvesting Systems
journal, May 2017
- Sun, Yanqiu; Lei, Yilong; Liao, Liangsheng
- Angewandte Chemie International Edition, Vol. 56, Issue 35
The microwave spectrum, structure and dipole moment of aniline
journal, November 1974
- Lister, D. G.; Tyler, J. K.; Høg, J. H.
- Journal of Molecular Structure, Vol. 23, Issue 2
The structure of aniline
journal, July 1984
- Niu, Zefu; Boggs, James E.
- Journal of Molecular Structure: THEOCHEM, Vol. 109, Issue 3-4
Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study
journal, June 2003
- Wojciechowski, Piotr M.; Zierkiewicz, Wiktor; Michalska, Danuta
- The Journal of Chemical Physics, Vol. 118, Issue 24
From molecules to solids with the DMol3 approach
journal, November 2000
- Delley, B.
- The Journal of Chemical Physics, Vol. 113, Issue 18
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Spectroscopic Investigation on the Charge—Transfer Complex of 2,4,6—Trinitrophenol with the Polycyclicamine 1,4,8,11-Tetraazacyclotetradecane
journal, May 1992
- Rady, Adel H.
- Spectroscopy Letters, Vol. 25, Issue 3
Spectrophotometric determination of anilines based on charge-transfer reaction
journal, July 2007
- Wu, Hao; Du, Li Ming
- Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 67, Issue 3-4
White-Light Emitting Microtubes of Mixed Organic Charge-Transfer Complexes
journal, July 2012
- Lei, Yi-Long; Jin, Yue; Zhou, Dong-Ying
- Advanced Materials, Vol. 24, Issue 39
Vibrational spectra of 2,4,6-trinitrotoluene and its isotopically substituted analogues
journal, January 1986
- Stewart, J. J. P.; Bosco, S. R.; Carper, W. R.
- Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 42, Issue 1
The vibrational assignments and configuration of aniline, aniline-NHD and aniline-ND2
journal, January 1960
- Evans, J. C.
- Spectrochimica Acta, Vol. 16, Issue 4
Infrared spectroscopy of jet-cooled neutral and ionized aniline–Ar
journal, January 1999
- Piest, Hans; von Helden, Gert; Meijer, Gerard
- The Journal of Chemical Physics, Vol. 110, Issue 4
Vapor-liquid equilibria for the systems hexane-aniline and hexane-benzene-aniline at atmospheric pressure
journal, April 1992
- Gupta, S. K.; Nanoti, S. M.; Rawat, B. S.
- Journal of Chemical & Engineering Data, Vol. 37, Issue 2
Experimental and Theoretical Investigation of Structures, Stoichiometric Diversity, and Bench Stability of Cocrystals with a Volatile Halogen Bond Donor
journal, February 2018
- Lisac, Katarina; Nemec, Vinko; Topić, Filip
- Crystal Growth & Design, Vol. 18, Issue 4
Mathematical modeling and physical reality in noncovalent interactions
journal, February 2015
- Politzer, Peter; Murray, Jane S.; Clark, Timothy
- Journal of Molecular Modeling, Vol. 21, Issue 3
Perspectives on the crystal densities and packing coefficients of explosive compounds
journal, November 2015
- Politzer, Peter; Murray, Jane S.
- Structural Chemistry, Vol. 27, Issue 1
van der Waals Volumes and Radii
journal, March 1964
- Bondi, A.
- The Journal of Physical Chemistry, Vol. 68, Issue 3, p. 441-451
Recent Advances in Modeling Hugoniots with Cheetah
conference, January 2006
- Glaesemann, K. R.
- SHOCK COMPRESSION OF CONDENSED MATTER - 2005: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
The equation of state of supercritical HF, HCl, and reactive supercritical mixtures containing the elements H, C, F, and Cl
journal, June 1999
- Fried, Laurence E.; Michael Howard, W.
- The Journal of Chemical Physics, Vol. 110, Issue 24
Explicit Gibbs free energy equation of state applied to the carbon phase diagram
journal, April 2000
- Fried, Laurence E.; Howard, W. Michael
- Physical Review B, Vol. 61, Issue 13
Polymorph formation from solvate desolvation: Spironolactone forms I and II from the spironolactone-ethanol solvate
journal, October 2007
- Nicolaï, Beatrice; Espeau, P.; Céolin, R.
- Journal of Thermal Analysis and Calorimetry, Vol. 90, Issue 2
Use of In Situ Atomic Force Microscopy to Follow Phase Changes at Crystal Surfaces in Real Time
journal, August 2013
- Thakuria, Ranjit; Eddleston, Mark D.; Chow, Ernest H. H.
- Angewandte Chemie International Edition, Vol. 52, Issue 40
The role of C–H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies
journal, January 2014
- Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
- CrystEngComm, Vol. 16, Issue 35
Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm 2 (C 2 O 4 ) 3 ·10H 2 O as a case study
journal, July 2017
- Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.
- IUCrJ, Vol. 4, Issue 5
Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes
journal, January 2012
- Martins, D.; Sanselme, M.; Houssin, O.
- CrystEngComm, Vol. 14, Issue 7
Solvate Formation of Bis(demethoxy)curcumin: Crystal Structure Analyses and Stability Investigations
journal, December 2018
- Yuan, Lina; Horosanskaia, Elena; Engelhardt, Felix
- Crystal Growth & Design, Vol. 19, Issue 2
Determination of Outer Layer and Bulk Dehydration Kinetics of Trehalose Dihydrate Using Atomic Force Microscopy, Gravimetric Vapour Sorption and Near Infrared Spectroscopy
journal, October 2008
- Jones, Matthew D.; Beezer, Anthony E.; Buckton, Graham
- Journal of Pharmaceutical Sciences, Vol. 97, Issue 10
Kinetics of Solid State Polymorphic Transition of Caffeine
journal, January 2007
- Matsuo, Kimihiro; Matsuoka, Masakuni
- JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, Vol. 40, Issue 6
Moisture-Induced Surface Crystallization of Spray-Dried Amorphous Lactose Particles Studied by Atomic Force Microscopy
journal, January 2004
- Mahlin, Denny; Berggren, Jonas; Alderborn, Göran
- Journal of Pharmaceutical Sciences, Vol. 93, Issue 1
The influence of PVP incorporation on moisture-induced surface crystallization of amorphous spray-dried lactose particles
journal, September 2006
- Mahlin, Denny; Berggren, Jonas; Gelius, Ulrik
- International Journal of Pharmaceutics, Vol. 321, Issue 1-2
Works referencing / citing this record:
Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions
journal, January 2020
- Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil
- CrystEngComm