Abstract
Crystallization of CL-20 in different plasticizers (gyceryl triacetate and diethyleneglycol dinitrate) was studied. IR spectra of the crystals obtained under various conditions, as a rule, do not correspond to the spectra of known modifications. Crystal and molecular structures of the CL-20 solvate with glyceryl triacetate were studied. A new stable conformer of the CL-20 molecule was discovered.
Similar content being viewed by others
References
A. T. Nielsen, A. P. Chafin, S. L. Christian, D. W. Moore, M. P. Nadler, R. A. Nissan, D. J. Vanderah, R. D. Gilardi, C. F. George, J. L. Flippen-Anderson, Tetrahedron, 1998, 54, 11793.
N. B. Bolotina, M. J. Hardie, R. L. Speer, A. A. Pinkerton, J. Appl. Cryst., 2004, 37, 808.
N. I. Golovina, A. V. Raevskii, N. V. Chukanov, B. L. Korsunskii, G. V. Shilov, L. O. Atovmyan, S. M. Aldoshin, Ros. Khim. Zh., 2004, 48, 41 [Mendeleev Chem. J. (Engl. Transl.), 2004, 48].
G. Jacob, L. Toupet, L. Ricard, G. Cagnon, CCDC, 1999, refcod PUBMUU05.
Y.-X. Ou, H.-P. Jia, B.-R. Chen, Y.-J. Xu, C. Wang, Z.-L. Pan, Huaxue Xuebao (Chin.) (Acta Chim. Sinica), 1999, 57, 431.
A. Meents, B. Dittrich, S. K. J. Johnas, V. Thome, E. F. Weckert, Acta Crystallogr., Sect. B — Struct. Science, 2008, 64, 42.
O. Isayev, L. Gorb, M. Qasim, J. Leszczynski, J. Phys. Chem. B, 2008, 112, 11005.
G. Zhou, J. Wang, W.-D. He, N.-B. Wong, A. Tian, W.-K. Li, J. Mol. Struct. (THEOCHEM), 2002, 589–590, 273.
Y. Kholod, S. Okovytyy, G. Kuramshina, M. Qasim, L. Gorb, J. Leszczynski, J. Mol. Struct., 2007, 843, 14.
N. I. Golovina, A. N. Utenyshev, K. V. Bozhenko, N. V. Chukanov, V. V. Zakharov, B. L. Korsunskii, Zh. Fiz. Khim., 2009, 83, 1302 [Russ. J. Phys. Chem. (Engl. Transl.), 2009, 83].
Yu. T. Lapina, A. S. Savitskaya, E. V. Motina, N. V. Bychin, A. A. Lobanova, N. I. Golovina, Zh. Prikl. Khim., 2009, 82, 1669 [Russ. J. Appl. Chem. (Engl. Transl.), 2009, 82].
U. R. Nair, R. Sivabalan, G. M. Gore, M. Geetha, S. N. Asthana, H. Singh, Fiz. Gorenii i Vzryva, 2005, 41, 3 [Combustion, Explosion and Shock Waves (Engl. Transl.), 2005, 41, 121].
T. P. Russell, P. J. Miller, G. J. Piermarini, S. J. Block, J. Phys. Chem., 1993, 97, 1993.
Y.-X. Ou, H.-P. Jia, B.-R. Chen, Y.-J. Xu, J.-T. Chen, R.-X. Xu. Youji, Huaxue (Chin.) (Chin. J. Org. Chem.), 1999, 19, 500.
A. Altomare, G. Cascarano, C. Giacovazzo, A. Gualardi, J. Appl. Crystallogr., 1993, 26, 343.
G. M. Sheldrick, SHELXL 97. Programs for Crystal Structure Analysis, University of Göttingen, Göttingen, Germany, 1997.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Stain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. C. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonazalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonazalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 03. Revision D.01., Gaussian. Inc., Wallingford (CT), 2004.
Author information
Authors and Affiliations
Corresponding author
Additional information
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1372–1378, July, 2011.
Rights and permissions
About this article
Cite this article
Aldoshin, S.M., Aliev, Z.G., Goncharov, T.K. et al. New conformer of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). Crystal and molecular structures of the CL-20 solvate with glyceryl triacetate. Russ Chem Bull 60, 1394–1400 (2011). https://doi.org/10.1007/s11172-011-0209-5
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11172-011-0209-5