Vibrational assignment of energetic material 5-nitro-2,4-dihydro-1,2,4- triazole-3-one (NTO) with labeled isomers

Journal of Physical Chemistry A

Volumn 108, Issue 27, 2004, Pages 5915-5920

  Hiyoshi, Reiko I ^a   Kohno, Yuji ^b   Nakamura, Jun ^a  

^a NATIONAL RESEARCH INSTITUTE OF POLICE SCIENCE   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALS; EXPLOSIVES; HYDROGEN BONDS; INFRARED SPECTROSCOPY; ISOTOPES; RAMAN SCATTERING; VIBRATION CONTROL;

BOND LENGTH; CRYSTAL STATES; STABLE ISOTOPES; VIBRATIONAL MOTIONS;

ISOMERS;

EID: 3142725553     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049118i     Document Type: Article

References (23)

1. Williams, G. K.; Brill, T. B. J. Phys. Chem. 1995, 99, 12536-12539.
2. Singh, G.; Kapoor, I. P. S.; Mannan, S. M.; Tiwari, S. K. J. Hazard. Mater. 1999, A68, 155-178.
3. Oxley, J. C.; Smith, J. L.; Rogers, E.; Dong, X. X. J. Phys. Chem. A 1997, 101, 3531-3536.
4. Östmark, H.; Bergman, H.; Aqvist, G.; Langlet, A.; Persson, B. Proc. 16th Int. Pyrotech. Semin. 1991, 16, 874-886.
5. Sanderson, A. J. NIMIC database, Sept 30, 1997.
6. Piteau, M.; Becuwe, A.; Finek, B. ADPA Symposium, San Diego, CA, April 1991, pp 69-79.
7. Becuwe, A.; Delclos, A. Propellants Explos. Pyrotech. 1993, 18 (1), 1-10.
8. Lee, K.-y.; Gilardi, R. Mater. Res. Soc. Symp. Proc. 1993, 295, 237-242.
9. Bolotina, N. B.; Zhurova, E. A.; Pinkerton, A. A. J. Appl. Crystallogr. 2003, 36, 280-285.
10. Zhurova, E. A.; Pinkerton, A. A. Acta Crystallogr. B 2001, B57, 359-365.
11. Ritchie, J. P. J. Org. Chem. 1989, 54, 3553-3560.
12. Harris, N. J.; Lammertsma, K. J. Am. Chem. Soc. 1996, 118, 8048-8055.
13. Sorescu, D. C.; Sutton, T. R. L.; Thompson, D. L.; Beardall, D.; Wight, C. A. J. Mol. Struct. 1996, 384, 87-99.
14. Sorescu, D. C.; Thompson, D. L. J. Phys. Chem. B 1997, 101, 3605-3613.
15. Meredith, C.; Russell, T. P.; Mowrey, R. C.; MacDonald, J. R. J. Phys. Chem. A 1998, 102, 471-477.
16. Wang, Y. M.; Chen, C.; Lin, S. T. THEOCHEM 1999, 460, 79-102.
17. Yim, W. L.; Liu, Z. F. J. Am. Chem. Soc. 2001, 123, 2243-2250.
18. Kohno, Y.; Takahashi, O.; Saito, K. Phys. Chem. Chem. Phys. 2001, 3, 2742-2746.
19. Oxley, J. C.; Smith, J. L.; Yeager, K. E. J. Energy Mater. 1995, 13, 93-105.
20. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E., Jr.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.1; Gaussian, Inc.: Pittsburgh, PA, 2001.
21. Forseman, J. B.; Frisch, A. In Exploring Chemistry with Electronic Structure Methods; Gaussian, Inc.: Pittsburgh, PA, 1996.
22. Franken, J.; Hambir, S. A.; Dlott, D. D. J. Appl. Phys. 1999, 85 (4), 2068-2074.
23. Prabhakaran, K. V.; Naidu, S. R.; Kurian, E. M. Thermochim. Acta 1994, 241, 199-212.