UV-PES, 13C NMR, and Theoretical Studies on the Alkyne-Cluster Interaction in Fe3(CO)932-EtC2Et)

Gaetano Granozzi, Eugenio Tondello, Maurizio Casarin, Silvio Aime, Domenico Osella1c

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

Abstract

13C NMR, UV-PES, and CNDO theoretical results of Fe3(CO)9(μ3-η2-EtC2Et) are reported. 13C alkyne resonances have very different chemical shifts according to the different coordination environments of the two acetylenic carbon atoms. Variable-temperature NMR experiments indicate localized exchange processes of the carbonyls at each Fe(CO)3 unit. The gas-phase UV-PE spectrum is assigned by comparison arguments with data on simpler related systems. The CNDO results contribute to the discussion of the PE data and provide interesting insights into the alkyne-cluster bonding mechanism. The relevant role of the cluster-↠alkyne back-donation is stressed by both the experimental and theoretical data. The qualitative picture of the electronic structure proposed by Blount et al. receives strong support by the present theoretical data.

Lingua originaleInglese
pagine (da-a)430-434
Numero di pagine5
RivistaOrganometallics
Volume2
Numero di pubblicazione3
DOI
Stato di pubblicazionePubblicato - mar 1983
Pubblicato esternamente

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