The results of an investigation on μ-CH2-[(η5C5H5)Mn(CO) 2]2 by means of UV vapour-phase photoelectron spectroscopy and CNDO quantum mechanical calculations are reported and discussed. Three distinct bands are assigned to ionizations from the MOs (27a, 26b, 22a) mainly contributing to the three membered ring bonding. In particular, 27a HOMO and 26b MO mainly represent MnMn and MnCH2Mn bonding interactions. On the contrary, 22a MO, reminiscent of the Walsh-type totally symmetric MO, is mainly localized on the methylene carbon atom. © 1981.
Electronic structure of μ-methylene-bis-[dicarbonyl(η5-cyclopentadienyl)manganese] by UV photoelectron spectroscopy
GRANOZZI, GAETANO;TONDELLO, EUGENIO;CASARIN, MAURIZIO;
1981
Abstract
The results of an investigation on μ-CH2-[(η5C5H5)Mn(CO) 2]2 by means of UV vapour-phase photoelectron spectroscopy and CNDO quantum mechanical calculations are reported and discussed. Three distinct bands are assigned to ionizations from the MOs (27a, 26b, 22a) mainly contributing to the three membered ring bonding. In particular, 27a HOMO and 26b MO mainly represent MnMn and MnCH2Mn bonding interactions. On the contrary, 22a MO, reminiscent of the Walsh-type totally symmetric MO, is mainly localized on the methylene carbon atom. © 1981.
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