Some possible channels for the N2 formation and their probable effects on the interstellar elemental nitrogen partitioning: A computational study

Nitrogen content of the interstellar regions is undergoing a re-evaluation based on some recent comet data and some excellent researches in this area. Finding of secondary channels for the formation of N2 will definitely have significant effect in accounting the elemental nitrogen partitioning and also the active nitrogen chemistry of the interstellar medium. In this work, computational calculations of potential energy surface for the reaction between NS and NSi has been carried out. We were able to locate many dissociation channels leading to the formation of N2 from some of these isomers, both in singlet as well as the triplet potential energy surfaces. Based on the analysis of the dissociation paths, it has been argued that such dissociation reactions leading to the formation of N2 will be possible not only in hot-cores, but also in the cold interstellar clouds of the interstellar medium.

Graphical abstractComputational study of the reaction between NS and NSi shows many potential highly exothermic and barrierless type of possible dissociation channels leading to the formation of N2 in the interstellar conditions.Download high-res image (72KB)Download full-size image