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Título
Quantum dynamics of C7N− and C10H− anions in collision with H2 at interstellar medium conditions
Autor(es)
Palabras clave
Astrochemistry
Molecular dynamics
Interstellar medium
Inelastic scattering
Fecha de publicación
2025-10-28
Editor
AIP Publshing
Citación
K. Giri , U. Lourderaj , S. Rana , L. González-Sánchez , AM Santa Daría , E. Yurtsever , N. Sathyamurthy , R. Wester , FA Gianturco; Dinámica cuántica de aniones C 7 N − y C 10 H − en colisión con H 2 en condiciones de medio interés. J. química. Física. 28 de octubre de 2025; 163 (16): 164314. https://doi.org/10.1063/5.0292750
Resumen
[EN]We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N− and C10H−, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed.
URI
DOI
10.1063/5.0292750
Versión del editor
Aparece en las colecciones
- GIDM. Artículos [73]
Fichier(s) constituant ce document
Nombre:
JCP25-AR-02928.pdfEmbargado hasta: 2026-10-28
Tamaño:
1.995Mo
Formato:
Adobe PDF
Descripción:
Accepted Manuscript












