The stability of e + H - 2 .

Autor: Bressanini D; Dipartimento di Scienza e Alta Tecnologia, Università dell'Insubria, Via Valleggio 9, I-22100 Como, Italy.
Jazyk: angličtina
Zdroj: The Journal of chemical physics [J Chem Phys] 2021 Jun 14; Vol. 154 (22), pp. 224306.
DOI: 10.1063/5.0053998
Abstrakt: 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 → H 2 + 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 H 2 + Ps - . There are no other bound structures for R < 3.2 bohrs. We discuss possible routes to its experimental production.
Databáze: MEDLINE