Isomerization versus hydrogen exchange reaction in the HNC HCN conversion

Talbi, Dahbia; Ellinger, Yves

doi:10.1016/S0009-2614(96)01253-5

Scientific article

English

Isomerization versus hydrogen exchange reaction in the HNC HCN conversion

Contributors

Talbi, Dahbia; Ellinger, Yves

Published in

Chemical physics letters, vol. 263, no. 3-4, p. 385-392

Publication date

1996

Abstract

For the HNC/HCN interconversion we show that the push-pull hydrogen exchange reaction H+CNHright harpoon over leftHCNHright harpoon over leftHCN+H is favoured over internal isomerization; the formation of H2CN or CNH2 followed by rearrangement to HCNH and subsequent elimination are more energy demanding processes. Both push-pull forward and reverse reactions present activation barriers. However, the activation energy on the H+CNH entrance channel (4.2±1.0 kcal/mol) is four times smaller than on the HCN+H path. As a consequence, it can be anticipated that there will be a range of temperatures where the H+CNH reaction will be efficient while the reverse HCN+H process is still inhibited. This process, much less endothermic than internal isomerization, should become an important path for HNC/HCN conversion with increasing temperature in star forming regions.

UNIGE affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

UNIGE research groups

Groupe Weber

Citation (ISO format)

TALBI, Dahbia, ELLINGER, Yves. Isomerization versus hydrogen exchange reaction in the HNC HCN conversion. In: Chemical physics letters, 1996, vol. 263, n° 3-4, p. 385–392. doi: 10.1016/S0009-2614(96)01253-5

Article (Published version)

Identifiers

PID : unige:2813
DOI : 10.1016/S0009-2614(96)01253-5

Additional URL for this publication

http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-3VRTGSS-6-5&_cdi=5231&_orig=browse&_coverDate=12%2F13%2F1996&_sk=997369996&view=c&wchp=dGLbVtb-zSkzS&_acct=C000043220&_version=1&_userid=779890&md5=28816c99ac6c40dca09058e5a33019f1&ie=f.pdf

Journal ISSN

0009-2614

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939downloads

Creation

21/09/2009 16:03:39

First validation

21/09/2009 16:03:39

Update

14/03/2023 15:12:03

Status update

14/03/2023 15:12:03

Last indexation

29/10/2024 12:02:34

Isomerization versus hydrogen exchange reaction in the HNC HCN conversion

Contributors

Published in

Publication date

Abstract

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Additional URL for this publication

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation