Thermal Decomposition of Cocaine and Methamphetamine Investigated by Infrared Spectroscopy and Quantum Chemical Simulations

通过红外光谱和量子化学模拟研究可卡因和甲基苯丙胺的热分解

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作者:Martin Ferus, Giuseppe Cassone, Vladimír Táborský, Alan Heays, Lukáš Petera, Antonín Knížek, Tadeáš Kalvoda, Milan Bouša, Jiří Šponer, Judit E Šponer, Petr Kubelík, Jan Drápal, Jan Stehlík, Svatopluk Civiš

Abstract

Examination of thermal decomposition of street samples of cocaine and methamphetamine shows that typical products detected in previous studies are accompanied by a wide palette of simple volatile compounds easily detectable by spectral techniques. These molecules increase smoke toxicity and their spectral detection can be potentially used for identification of drug samples by well-controlled laboratory thermolysis in temperature progression. In our study, street samples of cocaine and methamphetamine have been thermolyzed under vacuum over the temperature range of 350-650 °C. The volatile products (CO, HCN, CH4, C2H4, etc.) have been monitored by high-resolution Fourier-transform infrared (FTIR) spectrometry in this temperature range. The decomposition mechanism has been additionally examined theoretically by quantum-chemical calculations for the highest temperature achieved experimentally in our study and beyond. Prior to analysis, the street samples have also been characterized by FTIR, Raman spectroscopy, energy-dispersive X-ray spectroscopy, and melting point determination.

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