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2015ApJ...799..228S - Astrophys. J., 799, 228 (2015/February-1)

A quantum study of the chemical formation of cyano anions in inner cores and diffuse regions of interstellar molecular clouds.

SATTA M., GIANTURCO F.A., CARELLI F. and WESTER R.

Abstract (from CDS):

The barrierless, exothermic reactions of H with HCn N cyanopolyynes, with n = 1 and 3, are analyzed using ab initio calculations of the interaction forces. The shape of the reactive potential energy surface suggests the most efficient approach of H to be on a nearly collinear arrangement on the H-side of HCnN. Using simple transition state formulation of the reaction rates, which are obtained via calculation of the partition functions of each transition state configuration, provides a new non-Langevin behavior of the reaction which can help explain the unexpectedly large density of CN formation found in observations. A similar procedure is also employed for the reaction of H with HC3N and the differences in the results, indicating a lower efficiency of the latter reactivity compared with that for CN , are discussed in this paper.

Abstract Copyright:

Journal keyword(s): astrochemistry - evolution - ISM: clouds - molecular processes

Simbad objects: 1

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