English

Rattling motion of proton through five membered aromatic ring systems

Chemical Physics 2020-02-25 v1 Materials Science

Abstract

We study the passage of proton (H+^{+}) through different five membered aromatic ring systems by considering one dimensional motion of the proton along a line perpendicular to the plane of the ring. The potential for the motion of (H+^{+}) from one side of the ring to the other through the center of the ring is found to be a symmetric double well and such complexes are suggested as molecular rattles which can exhibit a ring umbrella like inversion. Our study reveals C2_{2}H2_{2}P3_{3}^{-} - H+^{+} to be a molecular rattle with a barrier height of 44.277 kcal mol1^{-1} and exciting it to the third vibrational level makes easy for the proton to go through the ring.

Keywords

Cite

@article{arxiv.2002.10317,
  title  = {Rattling motion of proton through five membered aromatic ring systems},
  author = {Somesh Chamoli and Aniruddha Chakraborty},
  journal= {arXiv preprint arXiv:2002.10317},
  year   = {2020}
}
R2 v1 2026-06-23T13:51:48.426Z