Published June 2010 | Version v1
Journal article Metadata-only

Chemical properties of the predicted 32-electron systems PuSn12 and PuPb12

Creators

  • 1. CEA Saclay, UMR 3299 CEA/CNRS SIS2M, laboratoire de chimie de coordination des elements f, 91 - Gif-sur-Yvette (France)
  • 2. Laboratoire des mecanismes reactionnels, departement de chimie, Ecole polytechnique, CNRS, 91 - Palaiseau (France)
  • 3. Department of Chemistry, University of Helsinki (Finland)

Description

The electronic structures, as well as spectroscopic and thermodynamic properties of the title PuM12 clusters, are considered at the density functional theory level. In both cases, a Pu2+ ion is encapsulated in an icosahedral, stanna- or plumbaspherene M122- cage. As suggested before for M=Pb, both systems are reported to follow a 32-electron principle for the central atom. (authors)

Availability note (English)

Available from doi: <http://dx.doi.org/10.1016/j.crci.2010.05.012

Additional details

Identifiers

DOI
10.1016/j.crci.2010.05.012;

Publishing Information

Journal Title
Comptes Rendus. Chimie
Journal Issue
no.6-7t.13
Journal Page Range
p. 884-888
ISSN
1631-0748

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
42036849
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; PLUTONIUM COMPOUNDS; THERMODYNAMIC PROPERTIES
Descriptors DEC
ACTINIDE COMPOUNDS; CALCULATION METHODS; PHYSICAL PROPERTIES; TRANSURANIUM COMPOUNDS; VARIATIONAL METHODS

Optional Information

Notes
23 refs.