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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)
DOI:https://doi.org/10.1021/ja00249a002· OSTI ID:6181972

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), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 109:15; ISSN JACSA
Country of Publication:
United States
Language:
English