Temporary anion states of. pi. -ligand transition-metal carbonyls studied by means of electron transmission spectroscopy and x. cap alpha. calculations
Journal Article
·
· J. Am. Chem. Soc.; (United States)
The resonances observed in the electron transmission spectra of (benzene)chromium tricarbonyl, (cyclopentadienyl)manganese tricarbonyl, (1,3-butadiene)iron tricarbonyl, and (cyclopentadienyl)cobalt dicarbonyl have been assigned with the aid of MS X..cap alpha.. calculations. In contrast with previous theoretical results, the present calculations on the neutral states show a large net electronic charge transfer from the ..pi.. ligand to the metal.
- Research Organization:
- Universita di Bologna, Italy
- OSTI ID:
- 6181972
- Journal Information:
- J. Am. Chem. Soc.; (United States), Vol. 109:15
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CARBONYLS
AFFINITY
ELECTRONIC STRUCTURE
MOLECULAR STRUCTURE
CHROMIUM COMPLEXES
COBALT COMPLEXES
IRON COMPLEXES
MANGANESE COMPLEXES
ANIONS
EV RANGE 01-10
EXPERIMENTAL DATA
MOLECULAR MODELS
SPECTROSCOPY
THEORETICAL DATA
TRANSMISSION ELECTRON MICROSCOPY
CHARGED PARTICLES
COMPLEXES
DATA
ELECTRON MICROSCOPY
ENERGY RANGE
EV RANGE
INFORMATION
IONS
MATHEMATICAL MODELS
MICROSCOPY
NUMERICAL DATA
TRANSITION ELEMENT COMPLEXES
400201* - Chemical & Physicochemical Properties
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CARBONYLS
AFFINITY
ELECTRONIC STRUCTURE
MOLECULAR STRUCTURE
CHROMIUM COMPLEXES
COBALT COMPLEXES
IRON COMPLEXES
MANGANESE COMPLEXES
ANIONS
EV RANGE 01-10
EXPERIMENTAL DATA
MOLECULAR MODELS
SPECTROSCOPY
THEORETICAL DATA
TRANSMISSION ELECTRON MICROSCOPY
CHARGED PARTICLES
COMPLEXES
DATA
ELECTRON MICROSCOPY
ENERGY RANGE
EV RANGE
INFORMATION
IONS
MATHEMATICAL MODELS
MICROSCOPY
NUMERICAL DATA
TRANSITION ELEMENT COMPLEXES
400201* - Chemical & Physicochemical Properties