Covalent bonds in positron dihalides.

ABSTRACT: We report a computational study on homo- and heteronuclear e⁺[X^-Y^-] compounds formed by two halide anions (X^-, Y^- = F^-, Cl^-, Br^-) and one positron. Our results indicate the formation of energetically stable positronic molecules in all cases. Analysis of the electron and positron densities points out that the formation of positron covalent bonds underlies the stabilization of the otherwise repelling dihalides, revealing that positronic bonding can reach far beyond the previously addressed e⁺[H^-H^-] molecule [J. Charry, M. T. do N. Varella and A. Reyes, Angew. Chem. Int. Ed., 2018, 57, 8859-8864.]. To a significant extent, the properties of the positron dihali

SUBMITTER: Moncada F 

PROVIDER: S-EPMC7472554 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature