Raman spectroscopy coupled with principal component analysis to quantitatively analyze four crystallographic phases of explosive CL-20.

ABSTRACT: The polymorphic quantitative analysis of explosives is very important for national defense and security inspection. However, conventional analytical methods are inaccurate and time-consuming because of the complexity of the polymorphic explosive samples. In this paper, we established a new method of polymorphic quantitative determination in a simple, sensitive, and accurate way. High quality spectra of the four phases of the explosive CL-20 were obtained using a compact Raman spectrometer, and QM calculations were performed to confirm the tentative assignment of the most predominant Raman peaks. Principal component analysis (PCA) of the data was performed to understand the factors affecting the spectral variation across the entire Raman region of the four phases of CL-20 and to calculate t

SUBMITTER: He X 

PROVIDER: S-EPMC9081593 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature