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Covalent bonds in positron dihalides.

Félix Moncada1, Laura Pedraza-González1, Jorge Charry1

  • 1Department of Chemistry , Universidad Nacional de Colombia , Av. Cra 30 # 45-03 , Bogotá , Colombia .

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Summary

This study reveals stable positronic molecules formed by halide anions and positrons. Positron covalent bonds stabilize these compounds, showing a new frontier in positronic bonding research.

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Area of Science:

  • Computational Chemistry
  • Quantum Mechanics
  • Materials Science

Background:

  • Positronic molecules are exotic chemical species involving positrons.
  • Previous studies have explored simple systems like e+[H-H-].
  • Understanding the stability and bonding in more complex positronic compounds is crucial.

Purpose of the Study:

  • To computationally investigate the formation and stability of homo- and heteronuclear positronic compounds of the type e+ [X-Y-].
  • To analyze the nature of bonding in these novel positronic molecules.
  • To compare their properties with isoelectronic electronic analogs.

Main Methods:

  • Computational study using quantum chemical methods.
  • Analysis of electron and positron densities.
  • Energy decomposition analysis.

Main Results:

  • Energetically stable positronic molecules e+ [X-Y-] were formed in all investigated cases.
  • Positron covalent bonds were identified as the stabilizing factor for the halide anions.
  • Positronic bonds were found to be stronger than those in isoelectronic electronic analogs (e- [A+B+]), with shorter bond lengths and higher bond energies.
  • Both electronic and positronic bonds primarily arise from electrostatic interactions, with enhanced stability in positron bonds attributed to higher anion polarizabilities and correlation/relaxation effects.

Conclusions:

  • Positronic bonding is a viable mechanism for stabilizing repulsive anions, extending beyond simple systems.
  • The studied positron dihalides exhibit unique properties, with stronger bonding than their electronic counterparts.
  • This work opens new avenues for exploring exotic matter and novel chemical bonding paradigms.