Dynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry | Zendy

Lola GonzálezSánchez | Zendy; E. Yurtsever | Zendy; Roland Wester | Zendy; F. A. Gianturco | Zendy

Open Access

Dynamics of HeHHe⁺ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry

Author(s) -

Lola GonzálezSánchez,

E. Yurtsever,

Roland Wester,

F. A. Gianturco

Publication year - 2021

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/acs.jpca.1c01820

Subject(s) - physics , collision , ab initio , universe , rotational energy , linear molecular geometry , dissipation , atomic physics , inelastic collision , potential energy surface , molecule , chemistry , thermodynamics , astrophysics , quantum mechanics , computer security , computer science , electron

Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation HeHHe + , at its equilibrium geometry, with the neutral He atom. The resulting interaction is employed to investigate the efficiency of rotational state-changing collisions at the temperatures relevant to the early universe conditions, where the latter molecule has been postulated to exist, albeit not yet observed. The inelastic rate coefficients are found to be fairly large and are compared with those found for another important cation just recently observed in the interstellar medium: the HeH + polar molecule. The possibility for this cation to provide new options to energy dissipation routes under early universe conditions after the recombination era is briefly discussed.

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