The Crystal Structure Determination of Triaminoguanidinium Nitrate: A Burning Rate Modifier for Nitramine Propellants.

摘要

The crystal and molecular structures of triaminoguanidinium nitrate were determined to ascertain if its unique burning rate behavior is structure related. This was accomplished using single crystal x-ray diffractometry. Triaminoguanidinium nitrate was found to be orthorhombic (space group Pbcm) with unit-cell dimensions: a=8.389(7), b=12.684(8), and c=6.543(5)A. The structure consists of layers of ions parallel to (001) located at + or -1/4c held together by Van der Waals' forces and hydrogen bonding. It was concluded that no definitive explanation for the burning rate behavior could be made until other data were obtained. It was recommended that the charge distribution on each ion be studied with a semi-empirical SCF-MO treatment, that thermal decomposition (gas analysis) and reaction mechanism be determined, and that a wide temperature range (liquid nitrogen temperature to melting point) differential scanning calorimetry (DSC) or differential thermal analysis (DTA) study be undertaken.