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Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments

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González-Sánchez, Lola
de la Fuente, Jorge Alonso
Sanz-Sanz, Cristina
Wester, Roland
Gianturco, Francesco A.

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We report quantum calculations involving the dynamics of rotational energy-transfer processes, by collision with He atoms in interstellar environments, of the title molecular species which share the presence of the CN backbone and are considered of importance in those environments. The latter structural feature is taken to be especially relevant for prebiotic chemistry and for its possible role in the processing of the heterocyclic rings of RNA and DNA nucleobases in the interstellar space. We carry out ab initio calculations of their interaction potentials with He atoms and further obtain the state-to-state rotationally inelastic cross sections and rate coefficients over the relevant range of temperatures. The similarities and differences between such species and other similar partners which have been already detected are analyzed and discussed for their significance on internal state populations in interstellar space for the two title molecular radicals.

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Royal Society of Chemistry

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Chemistry, Physical, Physics, Atomic, Molecular, Chemical

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Physical Chemistry Chemical Physics

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10.1039/d3cp03316c

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