Photoelectron spectroscopic study of the bonding in tetracarbonyl(ethylene)iron
Journal Article
·
· Inorg. Chem.; (United States)
The iron 2p/sub 3/2/, carbon 1s, and oxygen 1s binding energies of gaseous tetracarbonyl (ethylene) iron (Fe(CO)/sub 4/C/sub 2/H/sub 4/) have been measured. Atomic charge calculations based on binding energy shifts indicate that the ethylene group of (Fe(CO)/sub 5/) is affected by three equatorial CO ligands; (3) the total back-bonding of the (d/sub xz/, d/sub yz/) orbitals of Fe(CO)/sub 4/C/sub 2/H/sub 4/ is less negatively charged. Interpretation of the published UPS spectrum of Fe(CO)/sub 4/C/sub 2/H/sub 4/ with the aid of core binding energy shifts leads to the following conclusions: (1) there is significant sigma interaction between the ethylene ligand and the Fe(CO)/sub 4/ group of Fe(CO)/sub 4/C/sub 2/H/sub 4/; (2) the energy of the (d/sub xy/, d/sub x/sup 2/-y/sup 2//) orbitals of Fe(CO)/sub 4/C/sub 2/H/sub 4/ is affected by the two equatorial CO ligands and the ethylene ligand to the same extent as the energy of the (d/sub xy/, d/sub yz/) orbitals of Fe(CO)/sub 4/C/sub 2/H/sub 4/ is less than that of Fe(CO)/sub 5/, as expected from the orthogonality of these orbitals and the ..pi.. orbital of coordinated C/sub 2/H/sub 4/ in Fe(CO)/sub 4/C/sub 2/H/sub 4/.
- Research Organization:
- Lawrence Berkeley Lab., CA
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 5694605
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 22:15; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKENES
BINDING ENERGY
CARBONYLS
COMPLEXES
DATA
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY
ETHYLENE
EXPERIMENTAL DATA
FLUIDS
GASES
HYDROCARBONS
INFORMATION
INFRARED SPECTRA
IONIZATION POTENTIAL
IRON COMPLEXES
LIGANDS
MOLECULAR STRUCTURE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
SPECTRA
SPECTROSCOPY
STRUCTURAL CHEMICAL ANALYSIS
TRANSITION ELEMENT COMPLEXES
400201* -- Chemical & Physicochemical Properties
ALKENES
BINDING ENERGY
CARBONYLS
COMPLEXES
DATA
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
ENERGY
ETHYLENE
EXPERIMENTAL DATA
FLUIDS
GASES
HYDROCARBONS
INFORMATION
INFRARED SPECTRA
IONIZATION POTENTIAL
IRON COMPLEXES
LIGANDS
MOLECULAR STRUCTURE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
SPECTRA
SPECTROSCOPY
STRUCTURAL CHEMICAL ANALYSIS
TRANSITION ELEMENT COMPLEXES