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The Electronic Structures and Stabilities of Hexacarbonylchromium and Nitrogenpentacarbonylchromium

William J. Chambers and Noel J. Fitzpatrick
Proceedings of the Royal Irish Academy. Section B: Biological, Geological, and Chemical Science
Vol. 71 (1971), pp. 97-108
Published by: Royal Irish Academy
Stable URL: http://www.jstor.org/stable/20518891
Page Count: 12
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Since scans are not currently available to screen readers, please contact JSTOR User Support for access. We'll provide a PDF copy for your screen reader.
The Electronic Structures and Stabilities of Hexacarbonylchromium and Nitrogenpentacarbonylchromium
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Abstract

Using a semiempirical and self-consistent charge and configuration (SCCC) molecular orbital method Cr(CO)₆ and Cr(CO)₅N₂, in $C_{4v}$ symmetry, were compared. The results showed that in the nitrogen containing complex there was a decrease in σ donation and in π back donation. Synergic σ-π interactions also occurred to a lesser extent in the nitrogen complex. Using an approximate method the enthalpy of formation of Cr(CO)₅N₂ was calculated to be - 233 kcals/mole.

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