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Topological Study of the $H_3^{++}$ Molecular System: $H_3^{++}$ as a Cornerstone for Building Molecules during the Big Bang

Chemical Physics 2018-09-26 v3

Abstract

The present study is devoted to the possibility that tri-atomic molecules were formed during or shortly after the Big Bang. For this purpose we consider the ordinary H3+H_3^{+} and H3H_3 and the primitive tri-atomic molecular system, H3++H_3^{++}, which, as is shown, behaves differently. The study is carried out by comparing the topological features of these systems as they are reflected through their non-adiabatic coupling terms. Although the H3++H_3^{++} is not known to exist as a molecule, we found that it behaves as such at intermediate distances. However this illusion breaks down as its asymptotic region is reached. Our study indicates that whereas H3+H_3^{+} and H3H_3 dissociate smoothly, the H3++H_3^{++}, does not seem to do so. Nevertheless, the fact that H3++H_3^{++} is capable of living as a molecule on borrowed time enables it to catch an electron and form a molecule via the reaction H3+++eH3+H_3^{++} + e \to H_3^{+} that may dissociate properly: H3+H++H2H_3^{+} \to H^{+} + H_2 or H+H2+H + H_2^+. Thus, the two unique features acquired by H3++H_3^{++} namely, that it is the most primitive system formed by three protons and one electron and topologically, still remain for an instant a molecule, may make it the sole candidate for becoming the \bold{cornerstone} for creating the molecules.

Keywords

Cite

@article{arxiv.1801.00103,
  title  = {Topological Study of the $H_3^{++}$ Molecular System: $H_3^{++}$ as a Cornerstone for Building Molecules during the Big Bang},
  author = {Bijit Mukherjee and Debasis Mukhopadhyay and Satrajit Adhikari and Michael Baer},
  journal= {arXiv preprint arXiv:1801.00103},
  year   = {2018}
}