A theoretical study of AmOnand CmOn(n = 1, 2) | Zendy

Attila Kovács | Zendy; R.J.M. Konings | Zendy; Juraj Raab | Zendy; Laura Gagliardi | Zendy

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A theoretical study of AmO_nand CmO_n(n = 1, 2)

Author(s) -

Attila Kovács,

R.J.M. Konings,

Juraj Raab,

Laura Gagliardi

Publication year - 2008

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/b714853d

Subject(s) - curium , americium , excited state , bond dissociation energy , atomic physics , dissociation (chemistry) , ground state , ionization , chemistry , relativistic quantum chemistry , ionization energy , physics , actinide , nuclear physics , ion , organic chemistry

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).

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