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Article
Electronic Structure of Tungsten Hexacarbonyl
Electrical and Computer Engineering
  • Cary Y. Yang, Santa Clara University
  • 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.

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