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Published on: November 29, 2013
The stability of e+H- 2
1Dipartimento di Scienza e Alta Tecnologia, Università dell'Insubria, Via Valleggio 9, I-22100 Como, Italy.
Abstract:
The recently discovered positronic molecule e+H- 2 [J. Charry et al., Angew. Chem., Int. Ed. 57, 8859-8864 (2018)] has a new type of bond, the single-positron bond. We studied its stability using quantum Monte Carlo techniques. We computed an accurate potential energy curve of the reaction H- + PsH → e+H- 2 → H2 + Ps- to establish its global stability with respect to all possible dissociation channels and to define the range of its local stability. We showed that the e+H- 2 system is stable with respect to the dissociation into H- + PsH, with a binding energy of 23.5(1) mhartree. For R < 3.2 bohrs, the system is unstable, and it decays into H2 + Ps-. There are no other bound structures for R < 3.2 bohrs. We discuss possible routes to its experimental production.
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