Abstract
We report sufficient theoretical evidence of the energy stability of the e+⋅H22− molecule, formed by two H− anions and one positron. Analysis of the electronic and positronic densities of the latter compound undoubtedly points out the formation of a positronic covalent bond between the otherwise repelling hydride anions. The lower limit for the bonding energy of the e+⋅H22− molecule is 74 kJ mol−1 (0.77 eV), accounting for the zero‐point vibrational correction. The formation of a non electronic covalent bond is fundamentally distinct from positron attachment to stable molecules, as the latter process is characterized by a positron affinity, analogous to the electron affinity.
Funding Information
  • Fundação de Amparo à Pesquisa do Estado de São Paulo (2014/10012-9)
  • Conselho Nacional de Desenvolvimento Científico e Tecnológico (305672/2014-2)
  • Universidad Nacional de Colombia

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