Scientific article
English

On the HCN/HNC abundance ratio : a theoretical study of the H + CNH HCN + H exchange reaction

Published inAstronomy & astrophysics, vol. 314, no. 12, p. 688-692
Publication date1996
Abstract

The hydrogen exchange reaction H+CNH->HCN+H may be a key step in gas-phase interstellar nitrogen chemistry. It is one of the reactions supposed to cause increasing HNC depletion with increasing temperature in dense interstellar clouds. In this paper we report the results of extensive ab-initio calculations on the H+CNH<->H+HCN system that partially confirm this hypothesis. It is shown that both forward and reverse reactions possess activation barriers. However, the activation energy of the H+CNH channel (4.2+/-1.0kcal/mol.) is four times smaller than for the endothermic HCN+H path. Calculations on the rate of the forward reaction show that tunneling under the entrance channel barrier allows a small rate coefficient at the temperatures under 100K and that the rate coefficient increases steadily with increasing temperature for T>100K.

Keywords
  • Molecular processes
Research groups
Citation (ISO format)
TALBI, Dahbia, ELLINGER, Yves, HERBST, E. On the HCN/HNC abundance ratio : a theoretical study of the H + CNH HCN + H exchange reaction. In: Astronomy & astrophysics, 1996, vol. 314, n° 12, p. 688–692.
Identifiers
  • PID : unige:2822
Journal ISSN0004-6361
605views
0downloads

Technical informations

Creation21/09/2009 16:03:45
First validation21/09/2009 16:03:45
Update time14/03/2023 15:12:06
Status update14/03/2023 15:12:06
Last indexation29/10/2024 12:02:43
All rights reserved by Archive ouverte UNIGE and the University of GenevaunigeBlack