A theoretical study of AmOn and CmOn (n = 1, 2)

Attila Kovács, Rudy J.M. Konings, Juraj Raab, Laura Gagliardi

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Abstract

Americium and curium oxides AmOn and CmOn (n = 1, 2) were studied using state-of-the-art multiconfigurational, relativistic, quantum chemical methods. Spectroscopic properties for the ground state and several excited states of the four target compounds were determined. The computed dissociation energy of AmO (4.6 eV) agrees fairly well with estimates derived from experimental studies (5.73 ± 0.37 eV) while the computed dissociation energy of CmO (7.1 eV) agrees well with the experimental value (7.5 eV). The computed ionization energy of AmO (6.3 eV) is in good agreement with the current experimental value (5.9 ± 0.2 eV).

Original languageEnglish (US)
Pages (from-to)1114-1117
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume10
Issue number8
DOIs
StatePublished - 2008

Bibliographical note

Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.

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