INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
EXPERIMENTAL AND THEORETICAL STUDY OF THE REACTIONS OF O(3P) WITH 3-CHLOROPROPENE AND 2-CHLOROPROPENE BETWEEN 298 AND 359 K
Autor/es:
OLLETA, A.; COMETTO, PABLO M.; TACCONE, RAÚL A.; DALMASSO, P.; LANE, SILVIA I.
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2009 vol. 483 p. 55 - 61
ISSN:
0009-2614
Resumen:
The temperature dependences of the rate coefficients of the gas-phase reactions of O(3P) atoms with CH2=CHCH2Cl and CH2=CClCH3 were studied in the range 298359 K, using the discharge flow-chemiluminescence technique. The Arrhenius expressions obtained (in units of cm3 molecule-1 s-1) were: k1=(1.96 ± 0.33) x 10-10 exp [(-1476 ± 56) / T] and k2=(9.11 ± 0.17) x 10-11 exp [(-1007 ± 61) / T] with Ea in J mol-1. Theoretical calculations at different levels of theory were carried out. Both, theoretical and experimental results, supports the conclusion that addition of O (3P) to the less substituted carbon atom of the double bond of the studied chloropropenes, is the main pathway of the reactions.
