Experimental and theoretical study on the thermal stability and pyrolysis mechanism of HCFO-1233 yd.(Z)

The thermal stability and decomposition mechanism of (Z)-1,1,1-trifluoro-3-chloroprop-2-ene (HCFO-1233 yd.(Z)) were systematically investigated through combined theoretical and experimental approaches. The thermal decomposition of HCFO-1233 yd.(Z) proceeds predominantly through homolytic bond cleavage, radical abstraction, intermediate decomposition, and radical recombination, with oxidative decomposition representing the thermodynamically favored pathway. The primary decomposition products consist of two structural isomers with the molecular formula C3F3H2OCl.