Theoretical study of the reactions of c-C3H2 with CCH and CH2CCH radicals of astrochemical interest

MONASCAL, YELJAIR; BADENES, MARÍA PAULA

Congreso; LatinXChem 2022; 2022

Comité Organizador de LatinXChem 2022

Since its identification in 1985, cyclopropenylidene (c-C3H2) is known to be ubiquitous in our galaxy [1,2]. More recently, the astronomical detection of c-C3HCCH [3] has prompted new research on the formation mechanism of other cyclic molecules in space [4,5]. In this work, we present a quantum-chemical exploration of the potential energy surface (PES) for the gas-phase reactions of c-C3H2 with CCH and CH2CCH radicals, both of astrochemical relevance. For the c-C3H2 + CCH system, we compare our results with previous theoretical data.