Organic cyclic difluoramino-nitramines: Infrared and Raman spectroscopy of 3,3,7,7-tetrakis(difluoramino)octahydro 1,5-dinitro-1,5-diazocine (HNFX)

Journal of Raman Spectroscopy

Volumn 40, Issue 8, 2009, Pages 964-971

  Weck, Philippe F ^a   Gobin, Cédric ^a   Kim, Eunja ^a   Pravica, Michael G ^a  

^a UNIVERSITY OF NEVADA   (United States)

Author keywords

Density functional theory; Energetic materials; Infrared spectroscopy; Molecular crystal; Raman spectroscopy

Indexed keywords

CRYSTAL SYMMETRY; DENSITY FUNCTIONAL THEORY; MOLECULAR CRYSTALS; RAMAN SPECTROSCOPY; X RAY DIFFRACTION;

DENSITY FUNCTIONAL THEORY METHODS; DENSITY-FUNCTIONAL-THEORY; EXPERIMENTAL APPROACHES; INFRARED AND RAMAN SPECTROSCOPY; INFRARED: SPECTROSCOPY; NITRAMINES; ORGANICS; TETRAKIS; THEORETICAL APPROACH; VIBRATIONAL STRUCTURES;

INFRARED SPECTROSCOPY;

EID: 69949182478     PISSN: 03770486     EISSN: 10974555     Source Type: Journal    
DOI: 10.1002/jrs.2210     Document Type: Article

References (28)

1. R. S. Miller, in Chemistry of Energetic Materials (Eds: G. A. Olah, D. R. Squire), Academic Press, San Diego, 1996, p. 77.
2. H. L. Ammon, Struct. Chem. 2001, 12, 205.
3. R. D. Chapman, Struct. Bond. 2007, 125, 123.
4. R. D. Chapman, T. G. Archibald, K. Baum, Research in Energetic Compounds, Report ONR-7-1 (Interim), Fluorochem Inc., Azusa, 1989.
5. R. D. Chapman, M. F. Welker, C. B. Kreutzberger, J. Org. Chem. 1998, 63,1566.
6. R. D. Chapman, R. D. Gilardi, M. F. Welker, C. B. Kreutzberger, J. Org. Chem. 1999, 64, 960.
7. Y. Oyumi, T. B. Brill, A. L. Rheingold, J. Phys. Chem. 1986, 90, 2526.
8. N. Degirmenbasi, Z. Peralta-Inga, U. Olgun, H. Gocmez, D. M. Kalyon, J. Energ. Mater. 2006, 24, 103.
9. B. M. Rice, C. F. Chabalowski, J. Phys. Chem. A 1997, 101, 8720.
10. Y. A. Gruzdkov, Y. M. Gupta, J. Phys. Chem. A 2001, 105, 6197.
11. J. J. Haycraft, L. L. Stevens, C. J. Eckhardt, J. Appl. Phys. 2006, 100, 053508.
12. Z. A. Dreger, Y. M. Gupta, J. Phys. Chem. B 2007, 111, 3893.
13. N. J. Harris, K. Lammertsma, J. Am. Chem. Soc. 1997, 119, 6583.
14. A. K. Galwey, Chemistry of Solids, Chapman and Hall, London, 1967.
15. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Revision D.02, Gaussian, Inc., Wallingford, 2006.
16. Y. Wang, J. P. Perdew, Phys. Rev. B 1992, 45, 13244.
17. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
18. A. D. Becke, J. Chem. Phys. 1993, 98, 5648.
19. A. R. Allouche, Gabedit is a free graphical user interface for computationalchemistry packages. http://gabedit.sourceforge.net 2008
20. F. A. Cotton, Chemical Applications of Group Theory, John Wiley & Sons, Inc., New York, 1965.
21. E. B. Wilson Jr, J. C. Decius, P. C. Cross, Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra, Dover Publications, New York, 1980.
22. D. G. Allis, T. M. Korter, Chem. Phys. Chem. 2006, 7, 2398.
23. J. K. Burdett, M. Poliakoff, J. J. Turner, H. Dubost, in Advances in Infrared and Raman Spectroscopy (Eds: R. J. H. Clark, R. E. Hester), Heyden, London, 1976, p. 1.
24. P. Danecek, J. Kapitan, V. Baumruk, L. Bednarova, V. Kopecky, P. Bour, J. Chem. Phys. 2007, 126, 224513.
25. D. M. Adams, S. K. Sharma, J. Phys. E 1977, 10, 680.
26. X.-W. Fan, X. H. Ju, H. M. Xiao, J. Hazard. Mat. 2008, 156, 342.
27. D. D. Dlott, M. D. Fayer, J. Chem. Phys. 1990, 92, 3798.
28. A. Tokmakoff, M. D. Fayer, D. D. Dlott, J. Phys. Chem. 1993, 97, 1901.