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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.
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author
; and
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
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
b33d5e27-ac0c-4cdc-90bc-d5361d783c5b (old id 152727)
date added to LUP
2016-04-01 16:03:26
date last changed
2023-01-04 20:59:59
@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}},
  doi          = {{10.1039/b505593h}},
  volume       = {{7}},
  year         = {{2005}},
}