Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 390-396 |
| Number of pages | 7 |
| Journal | Chemical Physics Letters |
| Volume | 684 |
| DOIs | |
| State | Published - Jul 8 2017 |
Bibliographical note
KAUST Repository Item: Exported on 2020-10-01Acknowledgements: Research reported in this publication was funded by King Abdullah University of Science and Technology (KAUST). Experimental work was carried out at the Chemical Kinetics and Laser Sensors Laboratory at KAUST. Milán Szőri was a Magyary Zoltán fellow in the framework of TÁMOP 4.2.4.A/2-11-1-2012-0001 (A2-MZPD-12-0139) and currently a János Bolyai Research Scholar of the Hungarian Academy of Sciences (BO/00113/15/7). Milán Szőri would also thank the financial support of the “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).