Cobos C J, Hintzer K, Sölter L, Tellbach E, Thaler A, Troe J
INIFTA, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Argentina.
Dyneon GmbH, Gendorf, D-84508 Burgkirchen, Germany.
Phys Chem Chem Phys. 2017 Jan 25;19(4):3159-3164. doi: 10.1039/c6cp06822g.
The thermal decomposition of octafluorooxalane, CFO, to CF + CF + COF has been studied in shock waves highly diluted in Ar between 1300 and 2200 K. The primary dissociation was shown to be followed by secondary dissociation of CF and dimerization of CF. The primary dissociation was found to be in its falloff range and falloff curves were constructed. The limiting low and high pressure rate constants were estimated and compared with modelling results. Quantum-chemical calculations identified possible reaction pathways, either leading directly to the final products of the reaction or passing through an open-chain CFCFCF intermediate which dissociates in a second step.