Accession Number:

ADA094063

Title:

Electronic Energy Levels of Intermediates in the Nickel Carbonylation Reaction.

Descriptive Note:

Interim rept.,

Corporate Author:

MASSACHUSETTS INST OF TECH CAMBRIDGE FRANCIS BITTER NATIONAL MAGNET LAB

Report Date:

1980-12-31

Pagination or Media Count:

21.0

Abstract:

Using the multiple scattering X-alpha method, electronic energy levels have been found self-consistently for the intermediates NiCOn, n1,2,3 in the formation of nickel tetracarbonyl via the Ni-CO surface reaction. Linear geometries have been assumed for NiCO and NiCO2, and a trigonal planar conformation for NiCO3, in accordance with previously published IR spectra. The intermediates were assumed to be in the gas phase, free of surface interaction. From the energy level structure found, all three of the intermediates were determined to be diamagnetic, as NiCO4 is known to be. Author

Subject Categories:

  • Organic Chemistry
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE