On-line Raman spectroscopy combined with multivariate curve resolution-alternating least squares (MCR-ALS) to investigate the synthesis mechanism of 3,5-diamino-1,2,4-triazole (DAT)

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy(2022)

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摘要
•On-line Raman spectroscopy is applied to infer the reaction mechanism of intermediates of energetic materials.•Equality constraint is incorporated in ALS optimization result in further accuracy of Raman spectra.•The Raman spectra and structures of intermediate of synthetic DAT are deduced by MCR-ALS.
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关键词
Triazole,Mechanism,Energetic materials,On-line Raman,Chemometrics
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