Surface Effects on the Crystallization of cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the Consequences for its N K X-ray Emission Spectrum

Published

September 13, 2012

Author(s)

Ilana G. Goldberg, Fernando D. Vila, Terrence Jach

Abstract

Recent studies of the crystallization of cyclotrimethylene-trinitramine (RDX) have shown that the presence of the α- and β-phases of the compound is sensitive to the substrate using drop cast crystallization methods. The specific phase has potential consequences for measurements of the nitrogen K x-ray emission spectrum (XES) that were recently reported for this compound using samples crystallized on In metal substrates. We have determined that the crystallization of RDX on a clean In metal substrate starts out completely as the β-phase but progressively incorporates the α-phase as the film thickens. In addition, we have carried out additional molecular orbital calculations of the N 1s x-ray fluorescence from the valence band, comparing the results expected from the α-and β- phases. The differences due to the presence of the β-phase instead of, or in addition to, the α-phase appear to be minimal.

Citation

Journal of Chemical Physics

Volume

116

Pub Type

Journals

Download Paper

https://doi.org/10.1021/306978x

Local Download

Keywords

RDX, Raman, X-ray Flourescence, XES

Citation

Goldberg, I. , Vila, F. and Jach, T. (2012), Surface Effects on the Crystallization of cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the Consequences for its N K X-ray Emission Spectrum, Journal of Chemical Physics, [online], https://doi.org/10.1021/306978x, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=911423 (Accessed October 27, 2025)