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8346407 
Journal Article 
57Fe NMR of ferrocenes by 1H-57Fe INEPT techniques 
Wrackmeyer, B; Tok, OL; Herberhold, M 
2001 
1 
Organometallics
ISSN: 0276-7333
EISSN: 1520-6041 
20 
26 
5774-5776 
English 
57Fe NMR spectra (11.66 MHz) of the sandwich complexes ferrocene (1), butylferrocene (2), and acetylferrocene (3) were measured at natural abundance of 57Fe by application of the polarization transfer technique (INEPT; 1H-57Fe). In contrast to previous assumptions this technique works very well, although it has to be based on rather small (∼0.3-0.7 Hz) long-range scalar 57Fe-1H couplings across two bonds. Thus, the 57Fe NMR signal of ferrocene (∼150 mg in 2 mL of CDCl3/hexane (1:1)) was observed already after 4 transients, and after 400 transients (70 min of spectrometer time) the 13C satellites (1J(57Fe,13C) = 4.7 Hz) were detected, allowing us to determine the isotope-induced chemical shift 1Δ12/13C(57Fe) = -440 ppb at natural abundance of the isotopes.