Chaos Gated Tunneling Drives Molecular Reactivity in Astrophysical Environments
Abstract
Accurate modeling of ion-molecule reaction networks is essential for understanding the chemical evolution of planetary ionospheres, particularly for giant planets where proton-transfer chains drive atmospheric composition. However, predicting reaction rates in these ultracold environments remains a challenge due to the non-trivial interplay between vibrational dynamics and quantum tunneling. In this work we present a chaos-diagnostic framework that integrates multireference electronic structure theory, Adiabatic Gauge Potentials (AGP), and Random Matrix Theory (RMT) to characterize the microscopic dynamics of proton transport. Using the formation of H+3 and the proton-bound cluster H+5 as representative model systems relevant to Jovian atmospheres, we demonstrate that the transition state acts as a dynamical bottleneck where quantum chaos is notably suppressed, effectively enhancing tunneling probabilities. We introduce a fragility index based on the AGP slope to quantify how specific vibrational modes reintroduce chaos and suppress reactivity. This diagnostic approach offers a generalizable, data-driven metric for identifying vibrationally gated pathways in complex astrochemical networks, providing a theoretical basis for refining kinetic models of planetary and interstellar plasmas
Keywords
Cite
@article{arxiv.2604.21005,
title = {Chaos Gated Tunneling Drives Molecular Reactivity in Astrophysical Environments},
author = {Saptarshi G. Dastider and K. Prashant and P. Shruti and C. Sudheesh and Jobin Cyriac},
journal= {arXiv preprint arXiv:2604.21005},
year = {2026}
}