Investigation of spectra (NMR, mass) of some Fe3S3 cluster compounds

The chemical shifts of H-1-NMR of five Fe3S3 cluster compounds were assigne d. The main chemical shift values are: delta(CH3) = 1.095 - 1.946, delta(CH 2) = 2.882 - 3.803, delta(C6Hn) = 7.547 - 7.172. In comparison with those o f pure (CH3CH2)(3)N and thiophenol, these values are moved to high position , and the width of these peaks is obviously increased. These characteristic s conformed to NMR spectra of paramagnetic compounds and their molecular st ructures. The paramagnetic property of these compounds was also studied wit h ESR spectrum. Mass spectra of three compounds were determined. The main f ragments were observed, for example, m/z: 130 ((C2H5)(4)N)(+), 264 (Fe3S3)( +), 144(Fe-S-Fe)(+), 120(S-Fe-S)(+), 88(Fe-S)(+), 136(FeBr)(+), 91 (FeCl)() etc. These supported structural characteristics of the anion skeleton and molecules strongly. The possible mechanism of fragmentation was discussed.