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Título
Rotational State-Changing Rate Coefficients Computed for Recently Detected Anionic Cyanopolyines C5N− and C7N− in Collision with He [Dataset]
Autor(es)
Materia
Astrochemistry
Molecular processes
Methods: numerical
Clasificación UNESCO
2210 Química Física
2501.21 Simulación Numérica
Fecha de publicación
2023
Editor
IOP Publishing
Resumen
[EN]We report quantum calculations involving the dynamics of energy-transfer processes taking place
in Interstellar environments and involving the title molecular species which are part of the anionic
molecular chains labeled as cyanopoyines which have very recently been observed in molecule-rich
Circumstellar Envelopes. We first carried out new ab initio calculations for the C 7 N − involving its
interaction potential with He atoms and therefore obtained state-to-state rotationally inelastic cross
sections and rate coefficients over the relevant range of temperatures for both long chains and regarding
the state-changing processes which have been very recently observed as radiative transitions for either
molecule. The similarities and differences between such species and the comparative efficiencies of
collisional rate coefficients with radiative coefficients are analysed and discussed.f Their significance on
affecting internal state populations in ISM environments where the title anions are present is discussed.
URI
DOI
10.14201/gredos.153158
Tabla de contenidos
The original raw points from the ab initio calculations.
The multipolar coefficients for the Legendre expansion of the rigid rotor potential for the C7N− /He system.
The computed inelastic cross sections.
The rate coefficients obtained from the 2D-RR-PES for the C7N− anion.
The critical density values obtained for both anions and linked to their collision data for either He or H2.
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