Quantum Chemistry Predicts Multiply Bonded Diuranium Compounds to Be Stable

Roos, Björn O.; Gagliardi, Laura

doi:10.1021/ic051665a

Scientific article

English

Quantum Chemistry Predicts Multiply Bonded Diuranium Compounds to Be Stable

ContributorsRoos, Björn O.; Gagliardi, Laura

Published inInorganic chemistry, vol. 45, no. 2, p. 803-807

Publication date2006

Abstract

Results from quantum chemical calculations that predict the existence of a series of diuranium molecules are reported. Two diuranium chlorides, U2Cl6 and U2Cl82-, and three different carboxylates, U2(OCHO)4, U2(OCHO)6, and U2(OCHO)4Cl2 have been studied. All species have been found to be stable with a multiply bonded U2 unit.

Affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

Research groups

Groupe Gagliardi

Citation (ISO format)

ROOS, Björn O., GAGLIARDI, Laura. Quantum Chemistry Predicts Multiply Bonded Diuranium Compounds to Be Stable. In: Inorganic chemistry, 2006, vol. 45, n° 2, p. 803–807. doi: 10.1021/ic051665a

Article (Published version)

Identifiers

PID : unige:3285
DOI : 10.1021/ic051665a

Additional URL for this publicationhttp://pubs.acs.org/cgi-bin/article.cgi/inocaj/2006/45/i02/pdf/ic051665a.pdf

Journal ISSN1939-5175

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Quantum Chemistry Predicts Multiply Bonded Diuranium Compounds to Be Stable

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