Accession Number : ADA319054

Title :   Theoretical Research Investigation of High Energy Species.

Descriptive Note : Final rept. 3 May 90-1 Oct 96,

Corporate Author : UNITED TECHNOLOGIES RESEARCH CENTER EAST HARTFORD CT

Personal Author(s) : Michels, H. H.

PDF Url : ADA319054

Report Date : NOV 1996

Pagination or Media Count : 80

Abstract : A theoretical investigation was conducted of high energy chemical species that are attractive candidates for advanced propulsion systems. The objectives of this research program were to identify those light element molecular species that have sufficient internal energy to be useful in advanced chemical propulsion systems; to characterize their molecular structure, energy content and structural or radiative stability; to examine the probable kinetic routes for decomposition of these species; to characterize the vibrational and electronic spectra and other static molecular properties; and to propose possible synthesis routes for their formation and subsequent storage. Experimental data collected at other laboratory sites where there were parallel studies of high energy chemical species - specifically, SRI International, Rockwell Science Center, Rocketdyne, and Phillips Laboratory - were iteratively examined and integrated with the results generated by this theoretical investigation. A goal of this theoretical investigation was to furnish fundamental data and to provide a better understanding of the possibilities of forming chemical compounds that represent advanced high energy sources. It was also intended that this theoretical research effort be carried out with sufficient flexibility to aid in the analysis and guidance of any concurrent experimental programs of synthesis of high energy molecular species. To this end, the tanks of this research program to date have included the following studies: (1) high symmetry and hypervalent structures as advanced oxidizers; (2) azide-like species such as N7 and NO2N3; (3) nitrated cyclic and polycyclic compounds, as further developments of cyclic nitramines such as the HMX and PCN family of propellants; (4) an extensive analysis of dinitramide compounds as potential chlorine-free oxidizers

Descriptors :   *PROPELLANTS, *MOLECULAR STRUCTURE, *POLYCYCLIC COMPOUNDS, HYDRAZINES, MOLECULAR VIBRATION, SYNTHESIS(CHEMISTRY), HIGH ENERGY, ELECTRONIC STATES, OXIDIZERS, AMIDES, NITRAMINES, MOLECULAR ENERGY LEVELS, NITRATES, AZIDES, VIBRATIONAL SPECTRA, NITROGEN HETEROCYCLIC COMPOUNDS.

Subject Categories : Physical Chemistry
      Atomic and Molecular Physics and Spectroscopy
      Rocket Propellants

Distribution Statement : APPROVED FOR PUBLIC RELEASE