Electronic Structure of Tungsten Hexacarbonyl

Authors

Cary Y. Yang, Santa Clara UniversityFollow
Ramiro Arratia‐Perez
Jesus P. Lopez

Document Type

Article

Publication Date

5-25-1984

Publisher

Elsevier B. V.

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.

Recommended Citation

C.Y. Yang, R. Arratia-Perez, and J.P. Lopez, “Electronic Structure of Tungsten Hexacarbonyl,” Chemical Physics Letters 107, 112-116 (1984).