Spectral simulations and vibrational dynamics of the fluxional H+5 cation and its isotopologues: signatures of the shared-proton motions

28th International Conference on Photonic, Electronic and Atomic Collisions

Prosmiti, Rita^1 ; Valdés, Álvaro^1 ; Delgado-Barrio, Gerardo^1

Institute of Fundamental Physics, IFF-CSIC, Serrano 123, Madrid

28006, Spain^1

关键词: Anharmonic;    Interstellar mediums;    Isotopologues;    Proton motion;    Quantum study;    Research studies;    Spectral simulations;    Vibrational dynamics;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/488/10/102008/pdf
DOI  :  10.1088/1742-6596/488/10/102008

来源: IOP

【 摘 要 】

The recent increased interest on research studies of the H+5cation, and its isotopologues, is due to the postulation for their presence, although still not detected, in the interstellar medium. There is no doubt, particularly in the light of the recent laboratory observations, that the spectroscopy of these systems is also a great challenge for the theorists. Thus, we report the first fully converged coupled anharmonic quantum study on vibrational dynamics of these highly fluxional cations, providing important information on their spectroscopy in a rigorous manner, and open perspectives for further investigations.