Electronic structure of tungsten hexacarbonyl

Cary Y. Yang, Ramiro Arratia-Perez, Jesus P. Lopez

Resultado de la investigación: Article

15 Citas (Scopus)

Resumen

Dirac-scattered-wave (DSW) calculations have been performed for the W(CO)6 molecule. Ground state molecule orbitals, ionization energies, and the lowest d → CO π* transitions are reported. The results show that relativistic effects stabilaze the metal-ligand interaction, but they do not seem to add to the qualitative understanding of the valence electronic structure.

Idioma originalEnglish
Páginas (desde-hasta)112-116
Número de páginas5
PublicaciónChemical Physics Letters
Volumen107
N.º2
DOI
EstadoPublished - 25 may 1984

Huella dactilar

Electronic structure
tungsten
electronic structure
Molecules
Ionization potential
Carbon Monoxide
relativistic effects
Ground state
molecules
Metals
Ligands
valence
ionization
orbitals
ligands
ground state
metals
interactions
hexacarbonyltungsten
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

Yang, Cary Y. ; Arratia-Perez, Ramiro ; Lopez, Jesus P. / Electronic structure of tungsten hexacarbonyl. En: Chemical Physics Letters. 1984 ; Vol. 107, N.º 2. pp. 112-116.
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Yang, CY, Arratia-Perez, R & Lopez, JP 1984, 'Electronic structure of tungsten hexacarbonyl', Chemical Physics Letters, vol. 107, n.º 2, pp. 112-116. https://doi.org/10.1016/0009-2614(84)85682-1

Electronic structure of tungsten hexacarbonyl. / Yang, Cary Y.; Arratia-Perez, Ramiro; Lopez, Jesus P.

En: Chemical Physics Letters, Vol. 107, N.º 2, 25.05.1984, p. 112-116.

Resultado de la investigación: Article

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AU - Arratia-Perez, Ramiro

AU - Lopez, Jesus P.

PY - 1984/5/25

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AB - Dirac-scattered-wave (DSW) calculations have been performed for the W(CO)6 molecule. Ground state molecule orbitals, ionization energies, and the lowest d → CO π* transitions are reported. The results show that relativistic effects stabilaze the metal-ligand interaction, but they do not seem to add to the qualitative understanding of the valence electronic structure.

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Yang CY, Arratia-Perez R, Lopez JP. Electronic structure of tungsten hexacarbonyl. Chemical Physics Letters. 1984 may 25;107(2):112-116. https://doi.org/10.1016/0009-2614(84)85682-1

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