Theoretical and Spectroscopic Studies of (µ-Butatriene)hexacarbonyldiiron Compounds

Gaetano Granozzi, Maurizio Casarin, Silvio Aime, Domenico Osella

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Abstract

The bonding scheme in (µ-butatriene)hexacarbonyldiiron complexes is discussed on the basis of their 13C NMR and He I excited-gas-phase photoelectron spectra. 13C butatriene resonances have been assigned by using the proton-coupled NMR spectra. At room temperature a single resonance is seen in the carbonyl region, which splits into three resonances at lower temperatures. PE data are analyzed by comparison arguments with related M2(CO)6L systems and qualitative quantum-mechanical considerations. CNDO type calculations, which are in qualitative agreement with the proposed assignments, outline the presence of two strong Fe-C bonds accounting for the major Fe2(CO)6-butatriene interaction.

Lingua originaleInglese
pagine (da-a)4073-4076
Numero di pagine4
RivistaInorganic Chemistry
Volume21
Numero di pubblicazione11
DOI
Stato di pubblicazionePubblicato - 1982
Pubblicato esternamente

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