Siegmar Braun

Carbon-13 NMR spectra of ferrocenes and ferrocenyl-alkylium ions

Abstract The proton-coupled and proton-decoupled pulsed Fourier-transform 13 C NMR spectra of a series of neutral ferrocene derivatives and ferrocenylalkylium ions have been recorded and analysed. The influence of a substituent group upon the 13 C shifts of the carbons of the ferrocene rings has been investigated. The spectra of the ferrocenylalkylium ions are discussed in relation to the distribution of positive charge and to the various structural models which have been proposed for such species.

13C-NMR-spektroskopische untersuchung der tricarbonyl(1,2,3,4,5,2′-η-ethylcyclopentadien-1,2′-diyl)- komplexe des molybdäns und wolframs. deformierte σ-alkyl-π-cyclopentadienyl-metall-komplexe

Summary In order to gain further insight in the bond structure of bridged σ-alkyl-π-cyclopentadienyl complexes, obtained from spiro[2.4]hepta-4,6-diene their13C NMR spectra were recorded, analyzed, and compared with those of analogous compounds. It was concluded that the 3-membered ring of the starting hydrocarbon is completely opened and a “homofulvene” structure can be discarded.13C NMR spectra further suggest strong steric deformations in the ethano bridged compounds.

CCDC 114208: Experimental Crystal Structure Determination

Related Article: H.-J.Gais, M.van Gumpel, G.Raabe, J.Muller, S.Braun, H.J.Lindner, S.Rohs, J.Runsink|1999|Eur.J.Org.Chem.||1627|doi:10.1002/(SICI)1099-0690(199907)1999:7 3.0.CO;2-9