A very short uranium-uranium bond: The predicted metastable U-2(2+)
(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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https://lup.lub.lu.se/record/152727
- author
- Gagliardi, L ; Pyykko, P and Roos, Björn LU
- organization
- publishing date
- 2005
- 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}}, }