Unprecedented stability enhancement of multiply charged anions through decoration with negative electron affinity noble gases.
Journal
Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160
Informations de publication
Date de publication:
24 Jun 2020
24 Jun 2020
Historique:
pubmed:
17
6
2020
medline:
17
6
2020
entrez:
16
6
2020
Statut:
ppublish
Résumé
The present communication reports unprecedented stabilization of multiply charged anion, B12F122-, through insertion of noble gas (Ng) atoms possessing negative electron affinity into B-F bonds, resulting in the formation of stable icosahedral B12Ng12F122-, where the HOMO is stabilized significantly and the binding energy of the second excess electron is increased remarkably. Unprecedented stability enhancement with Ng is attributed to a strong covalent B-Ng bond, increased charge delocalization and increased electrostatic interaction between the oppositely charged centers.
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM