Other
Scientific paper
Apr 1996
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1996theoc.363..319r&link_type=abstract
THEOCHEM, Vol. 363, No. 3, p. 319 - 331
Other
Molecular Processes: Interstellar Molecules
Scientific paper
An ab initio study of the reaction of carbon atoms with H2Cl+ ions has been carried out at the G1 level. The (H2CCl)+ species on the triplet surface have been characterized and their molecular structure discussed. It is found that the approach through a hydrogen atom is favored over approach toward chlorine. The former leads in a first step to a CHClH+ species, which finally leads to the more stable HCClH+ and H2CCl+ species. These isomers are quite stable relative to the reactants, about 64 and 79 kcal mol-1 respectively. Contrary to what was previously assumed, the CH++HCl channel is not possible in the interstellar medium, since it is clearly endothermic, whereas production of CCl++H2 is only slightly exothermic. The authors predict that the dominant channels should be the production of HCCl++H and of Cl+CH2+, which are both exothermic (by more than 42 and 20 kcal mol-1, respectively, at the G1 level) and proceed without an activation barrier. The HCCl+ ion may be a precursor of interstellar CCl through dissociative recombination.
Barrientos Christian
Largo Antonio
Rayon Víctor M.
No associations
LandOfFree
Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process. does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process., we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Reaction of carbon atoms with H2Cl+: an ab initio study of a possible interstellar process. will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-1109009