Quantum chemistry predicts multiply bonded diuranium compounds to be stable

Björn O. Roos; Laura Gagliard

doi:10.1021/ic051665a

Quantum chemistry predicts multiply bonded diuranium compounds to be stable

Björn O. Roos
, Laura Gagliard

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

68 Scopus citations

Abstract

Results from quantum chemical calculations that predict the existence of a series of diuranium molecules are reported. Two diuranium chlorides, U ₂Cl₆ and U₂Cl₈^2-, and three different carboxylates, U₂(OCHO)₄, U ₂(OCHO)₆, and U₂(OCHO)₄Cl ₂ have been studied. All species have been found to be stable with a multiply bonded U₂ unit.

Original language	English (US)
Pages (from-to)	803-807
Number of pages	5
Journal	Inorganic chemistry
Volume	45
Issue number	2
DOIs	https://doi.org/10.1021/ic051665a
State	Published - Jan 23 2006
Externally published	Yes

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Copyright 2006 Elsevier B.V., All rights reserved.

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title = "Quantum chemistry predicts multiply bonded diuranium compounds to be stable",

abstract = "Results from quantum chemical calculations that predict the existence of a series of diuranium molecules are reported. Two diuranium chlorides, U 2Cl6 and U2Cl82-, and three different carboxylates, U2(OCHO)4, U 2(OCHO)6, and U2(OCHO)4Cl 2 have been studied. All species have been found to be stable with a multiply bonded U2 unit.",

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N2 - Results from quantum chemical calculations that predict the existence of a series of diuranium molecules are reported. Two diuranium chlorides, U 2Cl6 and U2Cl82-, and three different carboxylates, U2(OCHO)4, U 2(OCHO)6, and U2(OCHO)4Cl 2 have been studied. All species have been found to be stable with a multiply bonded U2 unit.

AB - Results from quantum chemical calculations that predict the existence of a series of diuranium molecules are reported. Two diuranium chlorides, U 2Cl6 and U2Cl82-, and three different carboxylates, U2(OCHO)4, U 2(OCHO)6, and U2(OCHO)4Cl 2 have been studied. All species have been found to be stable with a multiply bonded U2 unit.

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JO - Inorganic chemistry

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Quantum chemistry predicts multiply bonded diuranium compounds to be stable

Abstract

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