Accession Number : AD0703100

Title :   THE CHEMISTRY OF ALIPHATIC UNCONJUGATED NITRAMINES. II. INTRAMOLECULAR PROPERTIES AND CRYSTAL PACKING,

Corporate Author : DEFENCE STANDARDS LABS MARIBYRNONG (AUSTRALIA)

Personal Author(s) : Stals,J.

Report Date : 17 JUL 1969

Pagination or Media Count : 10

Abstract : The VESCF(BJ)-MO electric dipole moments, molecular ionization potentials, electronic bond energies, charge distributions, and bond orders for nitramide, N-methylnitramine, and s- and as-N,N-dimethylnitramines are reported. The packing of nitramide, RDX, and HMX in their molecular crystals is rationalized in terms of electrostatic and hydrogen-bonding interactions. Simple VB structures do not readily predict their calculated MO charge distributions and bond orders. (Author)

Descriptors :   (*NITRAMINES, *CHEMICAL BONDS), (*RDX, *MOLECULAR ORBITALS), (*HMX, MOLECULAR ORBITALS), MOLECULAR ASSOCIATION, DIPOLE MOMENTS, AUSTRALIA

Subject Categories : Ammunition and Explosives
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE