Application of a multi-channel in-situ infrared spectroscopy: The case of LLM-105

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Oct 15:240:118577. doi: 10.1016/j.saa.2020.118577. Epub 2020 Jun 5.

Abstract

The thermal decomposition process of 2,6-diamino-3,5-dinitropyrazine-1-oxide(LLM-105)under several constant temperatures (100 °C, 115 °C, 130 °C, and 145 °C) have been studied by a multi-channel in-situ reaction system. Almost 1000 spectra were obtained within 24 days by Fourier-transform infrared spectroscopy (FT-IR). The thermal decomposition activation energies (Eα) of C-NH2 and C-NO2 in LLM-105 were calculated by the Arrhenius equation to be 89.65 and 145.09 kJ mol-1, respectively. The thermal decomposition process of LLM-105 under long-term constant temperature is divided into two paths: intramolecular H-transfer and C-NO2 partition. It is feasible to study the aging process of materials using a combination of a multi-channel in-situ reaction system and FT-IR, which can effectively monitor the evolution of structure.

Keywords: Fourier-transform infrared spectroscopy; In-situ reaction system; LLM-105; Multi-channel; Thermal decomposition kinetics.