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Issue 8, 2008
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A theoretical study of AmOn and CmOn (n = 1, 2)

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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).

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

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Publication details

The article was received on 27 Sep 2007, accepted on 22 Nov 2007 and first published on 11 Dec 2007


Article type: Paper
DOI: 10.1039/B714853D
Citation: Phys. Chem. Chem. Phys., 2008,10, 1114-1117
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    A theoretical study of AmOn and CmOn (n = 1, 2)

    A. Kovács, R. J. M. Konings, J. Raab and L. Gagliardi, Phys. Chem. Chem. Phys., 2008, 10, 1114
    DOI: 10.1039/B714853D

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