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Advances in Physical Chemistry
Volume 2012 (2012), Article ID 175146, 7 pages
A Theoretical Investigation of the Ring Strain Energy, Destabilization Energy, and Heat of Formation of CL-20
Department of Chemistry and Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614, USA
Received 10 April 2012; Accepted 13 August 2012
Academic Editor: Dennis Salahub
Copyright © 2012 John A. Bumpus. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- A. T. Nielsen, “Caged polynitramine compound,” Chemical Abstracts, vol. 128, article 36971t, 1998, U. S. Department of Navy, U. S. Patent Office Application Case No. 70631, June 1987, U. S. Patent Application No. 253, 106, September 1988, U. S. Patent No. 5, 693, 794 (CI 540-554, C07D259/00, December 1997.
- A. T. Nielsen, A. P. Chafin, S. L. Christian et al., “Synthesis of polyazapolycyclic caged polynitramines,” Tetrahedron, vol. 54, no. 39, pp. 11793–11812, 1998.
- M. Geetha, U. R. Nair, D. B. Sarwade, G. M. Gore, S. N. Asthana, and H. Singh, “Studies on CL-20: the most powerful high energy material,” Journal of Thermal Analysis and Calorimetry, vol. 73, no. 3, pp. 913–922, 2003.
- V. D. Ghule, P. M. Jadhav, R. S. Patil, S. Radhakrishnan, and T. Soman, “Quantum-chemical studies on hexaazaisowurtzitanes,” Journal of Physical Chemistry A, vol. 114, no. 1, pp. 498–503, 2010.
- R. L. Simpson, P. A. Urtiew, D. L. Ornellas, G. L. Moody, K. J. Scribner, and D. M. Hoffman, “CL-20 performance exceeds that of HMX and its sensitivity is moderate,” Propellants, Explosives, Pyrotechnics, vol. 22, no. 5, pp. 249–255, 1997.
- D. Mueller, “New gun propellant with CL-20,” Propellants, Explosives, Pyrotechnics, vol. 24, no. 3, pp. 176–181, 1999.
- M.-X. Zhang, P. E. Eaton, and R. Gilardi, “Hepta- and octanitrocubanes,” Angewandte Chemie International Edition, vol. 39, pp. 401–404, 2000.
- J. Zhang and H. Xiao, “Computational studies on the infrared vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanism of octanitrocubane,” Journal of Chemical Physics, vol. 116, no. 24, pp. 10674–10683, 2002.
- A. M. Astakhov, R. S. Stepanov, and A. Y. Babushkin, “On the detonation parameters of octanitrocubane,” Combustion, Explosion and Shock Waves, vol. 34, no. 1, pp. 85–87, 1998.
- P. E. Eaton, M.-X. Zhang, R. Gilardi, N. Gelber, S. Iyer, and R. Surapaneni, “Octanitrocubane: a new nitrocarbon,” Propellants, Explosives, Pyrotechnics, vol. 27, pp. 1–6, 2000.
- U. R. Nair, R. Sivabalan, G. M. Gore, M. Geetha, S. N. Asthana, and H. Singh, “Hexanitrohexaazaisowurtzitane (CL-20) and CL-20-based formulations,” Combustion, Explosion and Shock Waves, vol. 41, no. 2, pp. 121–132, 2005.
- P. E. Eaton, R. L. Gilardi, and M.-X. Zhang, “Polynitrocubanes: advanced high-density, high-energy materials,” Advanced Materials, vol. 12, no. 15, pp. 1143–1148, 2000.
- National Research Council of the National Academies, Advanced Energetic Materials, Committee on Advanced Energetic Materials and Manufacturing Technologies, Board on Manufacturing and Engineering Design, Division on Engineering and Physical Sciences, The National Academies Press, Washington, DC, USA, 2004.
- G. Zhou, J. Wang, W. D. He, N. B. Wong, A. Tian, and W. K. Li, “Theoretical investigation of four conformations of HNIW by B3LYP method,” Journal of Molecular Structure, vol. 589-590, pp. 273–280, 2002.
- W. S. Ohlinger, P. E. Klunzinger, B. J. Deppmeier, and W. J. Hehre, “Efficient calculation of heats of formation,” Journal of Physical Chemistry A, vol. 113, no. 10, pp. 2165–2175, 2009.
- S. W. Benson, F. R. Cruickshank, D. M. Golden et al., “Additivity rules for the estimation of thermochemical properties,” Chemical Reviews, vol. 69, no. 3, pp. 279–324, 1969.
- S. W. Benson, Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, John Wiley & Sons, New York, NY, USA, 2nd edition, 1976.
- G. Leroy, “The theoretical approach to some chemical problems,” Advances in Quantum Chemistry, vol. 17, no. C, pp. 1–95, 1985.
- CHETAH- ASTM Computer Program for Chemical Thermodynamic and Energy Release Evaluation—CHETAH Version 8. 0, http://www.normas.com/ASTM/COMPs/CHETAH-9-0.html.
- R. A. Pesce-Rodriguez, R. A. Fifer, K. L. McNesby et al., “Thermal decomposition of HNIW-based formulations,” Technical Report BRL-TR-3402, AD-A255 613, 1991, http://oai.dtic.mil/oai/oai?verb=getRecord&metadataPrefix=html&identifier=ADA255613.
- M. F. Foltz, C. L. Coon, F. Garcia, and A. L. Nichols III, “Thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, Part I,” Propellants, Explosives, Pyrotechnics, vol. 19, no. 1, pp. 19–25, 1994.
- M. F. Foltz, “Thermal stability of E-hexanitrohexaazaisowurtzitane in an Estane formulation,” Propellants, Explosives, Pyrotechnics, vol. 19, no. 2, pp. 63–69, 1994.
- M. F. Foltz, C. L. Coon, F. Garcia, and A. L. Nichols III, “Thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, Part II,” Propellants, Explosives, Pyrotechnics, vol. 19, no. 3, pp. 133–144, 1994.
- N. B. Bolotina, M. J. Hardie, R. L. Speer Jr., and A. A. Pinkerton, “Energetic materials: variable-temperature crystal structures of γ- and ε-HNIW polymorphs,” Journal of Applied Crystallography, vol. 37, no. 5, pp. 808–814, 2004.
- J. Li and T. B. Brill, “Kinetics of solid polymorphic phase transitions of CL-20,” Propellants, Explosives, Pyrotechnics, vol. 32, no. 4, pp. 326–330, 2007.
- T. P. Russell, P. J. Miller, G. J. Piermarini, and S. Block, “Pressure/temperature phase diagram of hexanitrohexaazaisowurtzitane,” Journal of Physical Chemistry, vol. 97, no. 9, pp. 1993–1997, 1993.
- S. Zeman and M. Krupka, “New aspects of impact reactivity of polynitro compounds, Part III. Impact sensitivity as a function of the imtermolecular interactions,” Propellants, Explosives, Pyrotechnics, vol. 28, no. 6, pp. 301–307, 2003.
- X. W. Fan, X. H. Ju, Q. Y. Xia, and H. M. Xiao, “Strain energies of cubane derivatives with different substituent groups,” Journal of Hazardous Materials, vol. 151, no. 1, pp. 255–260, 2008.