F. Hipler, R. Fischer, Jens Müller
Aug 27, 2002
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Influential Citations
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Journal
Journal of The Chemical Society-perkin Transactions 1
Abstract
A series of high-vacuum thermolysis experiments with 2,5-dimercapto-1,3,4-thiadiazole and 2-mercapto-5-methyl-1,3,4-thiadiazole was performed between ambient temperature and 800 °C. The thermolysis products were trapped by matrix-isolation techniques and characterised by IR spectroscopy. Thermolysis of 2,5-dimercapto-1,3,4-thiadiazole gave HNCS, CS2 and HCN, whereas 2-mercapto-5-methyl-1,3,4-thiadiazole shows a more complex fragmentation pattern forming HNCS, CH3NCS, HCN and CS2. Formation of CH3CN was not observed. The molecular structures of different isomers of both mercaptothiadiazoles were studied by ab initio and DFT computations.