Infrared multiphoton dissociation of RDX in a molecular beam

Journal Article · Fri Jan 15 00:00:00 EST 1988 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.454158· OSTI ID:5522595

Zhao, X; Hintsa, E J; Lee, Y T

Infrared multiphoton dissociation (IRMPD) of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in a molecular beam has been performed in order to investigate the mechanism of RDX thermal decomposition. A beam of molecules was crossed by a pulsed TEA CO/sub 2/ laser and velocity distributions of the various products were measured by the time-of-flight (TOF) technique as a function of the laboratory angle using a mass spectrometric detector. The dissociation channels, their branching ratios, and the translational energy distributions of the products were determined. In contrast to the conventional view of simple bond rupture through loss of NO/sub 2/ as the dominant primary channel in RDX decomposition, it was found that the dominant primary channel is concerted symmetric triple fission to produce three CH/sub 2/N/sub 2/O/sub 2/ fragments which subsequently undergo secondary concerted dissociation to produce HCN, H/sub 2/CO, HONO (or HNO/sub 2/), and N/sub 2/O. A total of two primary and four secondary dissociation channels were observed. Concerted reactions predominate over simple bond rupture not only in the number of channels (four vs two) but also in the amount of products. A fair amount of translational energy release through concerted reaction channels was observed, which is significant for an explanation of the energies of RDX decomposition.

• Research Organization: Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory and Department of Chemistry, University of California, Berkeley, California 94720
• OSTI ID: 5522595
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 88:2; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE
450100* -- Military Technology
Weaponry
& National Defense-- Chemical Explosions & Explosives
AZINES
BEAMS
CHEMICAL EXPLOSIVES
CHEMICAL REACTIONS
DECOMPOSITION
DISSOCIATION
ELECTROMAGNETIC RADIATION
EXPLOSIVES
HETEROCYCLIC COMPOUNDS
INFRARED RADIATION
MASS SPECTROSCOPY
MOLECULAR BEAMS
MULTI-PHOTON PROCESSES
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
RADIATIONS
SPECTROSCOPY
TRIAZINES