A very short uranium-uranium bond: The predicted metastable U22+

Gagliardi, Laura; Pyykkö, Pekka; Roos, Björn O.

doi:10.1039/b505593h

Scientific article

English

A very short uranium-uranium bond: The predicted metastable U22+

Contributors

Gagliardi, Laura; Pyykkö, Pekka; Roos, Björn O.

Published in

PCCP. Physical chemistry chemical physics, vol. 7, no. 12, p. 2415-2417

Publication date

2005

Abstract

Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U22+ system has a large number of low-lying electronic states with S of 0 to 2 and ranging from zero to ten. These states share a very small bond length of about 2.30, compared to 2.43 in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.

UNIGE affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

UNIGE research groups

Groupe Gagliardi

Citation (ISO format)

GAGLIARDI, Laura, PYYKKÖ, Pekka, ROOS, Björn O. A very short uranium-uranium bond: The predicted metastable U22+. In: PCCP. Physical chemistry chemical physics, 2005, vol. 7, n° 12, p. 2415–2417. doi: 10.1039/b505593h

Article (Published version)

Identifiers

PID : unige:3311
DOI : 10.1039/b505593h

Additional URL for this publication

http://www.rsc.org/ej/CP/2005/b505593h.pdf

Journal ISSN

1463-9076

722views

620downloads

Creation

21/09/2009 16:23:06

First validation

21/09/2009 16:23:06

Update

14/03/2023 15:14:21

Status update

14/03/2023 15:14:20

Last indexation

29/10/2024 12:15:02

A very short uranium-uranium bond: The predicted metastable U22+

Contributors

Published in

Publication date

Abstract

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Additional URL for this publication

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation