Scientific article
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Isomerization versus hydrogen exchange reaction in the HNC HCN conversion

Published inChemical physics letters, vol. 263, no. 3-4, p. 385-392
Publication date1996

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.

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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
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ISSN of the journal0009-2614

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