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
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.

Identifiants

pubmed: 32538412
doi: 10.1039/d0cp01478h
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

13368-13372

Auteurs

Meenakshi Joshi (M)

Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India. tapang@barc.gov.in and Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India.

Tapan K Ghanty (TK)

Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India. tapang@barc.gov.in and Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, India.

Classifications MeSH