Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case

Ivan Infante; Lester Andrews; Xeufeng Wang; Laura Gagliardi

doi:10.1002/chem.201002549

Noble gas matrices may change the electronic structure of trapped molecules: The UO₂(Ng)₄ [Ng = Ne, Ar] case

Ivan Infante, Lester Andrews, Xeufeng Wang, Laura Gagliardi

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

Ground state reversal from a neon to an argon matrix is confirmed by CASSCF/CASPT2 calculations (see picture) and new stepwise laser-ablated experiments.

Original language	English (US)
Pages (from-to)	12804-12807
Number of pages	4
Journal	Chemistry - A European Journal
Volume	16
Issue number	43
DOIs	https://doi.org/10.1002/chem.201002549
State	Published - Nov 15 2010

Keywords

density functional calculations
laser spectroscopy
matrix isolation
noble gases
uranium

Publisher link

10.1002/chem.201002549

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title = "Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case",

abstract = "Ground state reversal from a neon to an argon matrix is confirmed by CASSCF/CASPT2 calculations (see picture) and new stepwise laser-ablated experiments.",

keywords = "density functional calculations, laser spectroscopy, matrix isolation, noble gases, uranium",

author = "Ivan Infante and Lester Andrews and Xeufeng Wang and Laura Gagliardi",

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AU - Wang, Xeufeng

AU - Gagliardi, Laura

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KW - matrix isolation

KW - noble gases

KW - uranium

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