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

0544236 - ÚFCH JH 2022 RIV US eng J - Journal Article
Ferus, Martin - Cassone, G. - Táborský, V. - Heays, Alan - Petera, Lukáš - Knížek, Antonín - Kalvoda, T. - Bouša, Milan - Šponer, Jiří - Šponer, Judit E. - Kubelík, Petr - Drápal, J. - Stehlík, J. - Civiš, Svatopluk
Thermal Decomposition of Cocaine and Methamphetamine Investigated by Infrared Spectroscopy and Quantum Chemical Simulations.
ACS Omega. Roč. 6, č. 22 (2021), s. 14447-14457. ISSN 2470-1343. E-ISSN 2470-1343
R&D Projects: GA MŠMT EF16_019/0000778
Institutional support: RVO:61388955 ; RVO:68081707
Keywords : raman-spectroscopy * gc-ms * quantitative-analysis * psychotropic-drugs * lc-ms * pyrolysis * metabolites * mixtures * kinetics * samples
OECD category: Physical chemistry; Physical chemistry (BFU-R)
Impact factor: 4.132, year: 2021
Method of publishing: Open access

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 degrees 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.
Permanent Link: http://hdl.handle.net/11104/0321266