Electronic structure of tungsten hexacarbonyl

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

doi:10.1016/0009-2614(84)85682-1

Electronic structure of tungsten hexacarbonyl

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

Facultad Ciencias Exactas

Resultado de la investigación: Contribución a una revista › Artículo

16 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 original	Inglés
Páginas (desde-hasta)	112-116
Número de páginas	5
Publicación	Chemical Physics Letters
Volumen	107
N.º	2
DOI	https://doi.org/10.1016/0009-2614(84)85682-1
Estado	Publicada - 25 may 1984

Áreas temáticas de ASJC Scopus

Física y astronomía (todo)
Química física y teórica

Acceder al documento

10.1016/0009-2614(84)85682-1

Link to publication in Scopus

Huella Profundice en los temas de investigación de 'Electronic structure of tungsten hexacarbonyl'. En conjunto forman una huella única.

Citar esto

Yang, C. Y., Arratia-Perez, R., & Lopez, J. P. (1984). Electronic structure of tungsten hexacarbonyl. Chemical Physics Letters, 107(2), 112-116. https://doi.org/10.1016/0009-2614(84)85682-1

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abstract = "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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AU - Arratia-Perez, Ramiro

AU - Lopez, Jesus P.

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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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