Journal
CHEMICAL PHYSICS LETTERS
Volume 684, Issue -, Pages 390-396Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.07.020
Keywords
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Funding
- King Abdullah University of Science and Technology (KAUST)
- Establishment of collaboration between the higher education and industry (FIEK) involving University of Miskolc for advanced materials and intelligent technologies Program [GINOP-2.3.4-15-2016-00004]
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Thermal unimolecular decomposition of diethyl carbonate (DEC) was investigated in a shock tube by measuring ethylene concentration with a CO2 gas laser over 900-1200 K and 1.2-2.8 bar. Rate coefficients were extracted using a simple kinetic scheme comprising of thermal decomposition of DEC as initial step followed by rapid thermal decomposition of the intermediate ethyl hydrogen carbonate. Our results were further analysed using ab initio and master equation calculations to obtain pressure- and temperature-dependence of rate coefficients. Similar to alkyl esters, unimolecular decomposition of DEC is found to undergo six-center retro-ene elimination of ethylene in a concerted manner. (C) 2017 Elsevier B.V. All rights reserved.
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