Advanced

A very short uranium-uranium bond: The predicted metastable U-2(2+)

Gagliardi, L; Pyykko, P and Roos, Björn LU (2005) In Physical Chemistry Chemical Physics 7(12). p.2415-2417
Abstract
Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U-2(2+) system has a large number of low-lying electronic states with S of 0 to 2 and Lambda ranging from zero to ten. These states share a very small bond length of about 2.30 angstrom, compared to 2.43 angstrom in neutral U-2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
7
issue
12
pages
2415 - 2417
publisher
Royal Society of Chemistry
external identifiers
  • pmid:15962023
  • wos:000230308600001
  • scopus:21744458398
ISSN
1463-9084
DOI
10.1039/b505593h
language
English
LU publication?
yes
id
b33d5e27-ac0c-4cdc-90bc-d5361d783c5b (old id 152727)
date added to LUP
2007-07-17 09:38:22
date last changed
2017-08-27 05:18:28
@article{b33d5e27-ac0c-4cdc-90bc-d5361d783c5b,
  abstract     = {Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U-2(2+) system has a large number of low-lying electronic states with S of 0 to 2 and Lambda ranging from zero to ten. These states share a very small bond length of about 2.30 angstrom, compared to 2.43 angstrom in neutral U-2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.},
  author       = {Gagliardi, L and Pyykko, P and Roos, Björn},
  issn         = {1463-9084},
  language     = {eng},
  number       = {12},
  pages        = {2415--2417},
  publisher    = {Royal Society of Chemistry},
  series       = {Physical Chemistry Chemical Physics},
  title        = {A very short uranium-uranium bond: The predicted metastable U-2(2+)},
  url          = {http://dx.doi.org/10.1039/b505593h},
  volume       = {7},
  year         = {2005},
}