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Investigation of Spectra (NMR,Mass) of Some Fe_3S_3 Cluster Compounds

Investigation of Spectra (NMR,Mass) of Some Fe_3S_3 Cluster Compounds
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摘要 The chemical shifts of 1H-NMR of five Fe_3S_3 cluster compounds were assigned. The main chemical shift values are: δ_ CH_3=1.095-1.946, δ_ CH_2=2.882-3\^803, δ_ C_6H_n=7.547-7.172. In comparison with those of pure (CH_3CH_2)_3N and thiophenol, these values are moved to high position, and the width of these peaks is obviously increased. These characteristics conformed to NMR spectra of paramagnetic compounds and their molecular structures. The paramagnetic property of these compounds was also studied with ESR spectrum. Mass spectra of three compounds were determined. The main fragments were observed, for example, m/z: 130〔(C_2H_5)_4N〕+, 264〔Fe_3S_3〕+, 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. The chemical shifts of 1H-NMR of five Fe_3S_3 cluster compounds were assigned. The main chemical shift values are: δ_ CH_3=1.095-1.946, δ_ CH_2=2.882-3\^803, δ_ C_6H_n=7.547-7.172. In comparison with those of pure (CH_3CH_2)_3N and thiophenol, these values are moved to high position, and the width of these peaks is obviously increased. These characteristics conformed to NMR spectra of paramagnetic compounds and their molecular structures. The paramagnetic property of these compounds was also studied with ESR spectrum. Mass spectra of three compounds were determined. The main fragments were observed, for example, m/z: 130〔(C_2H_5)_4N〕+, 264〔Fe_3S_3〕+, 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.
作者 刘平 王艰
机构地区 Chinese Acad Sci
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2000年第5期352-358,共7页 结构化学(英文)
基金 SupportedbytheNationalNaturalScienceFoundationofChinaandtheNaturalScienceFoundationofFujianProvince .
关键词 Fe_3S_3 cluster compounds NMR spectrum Mass spectrum Fe_3S_3 cluster compounds, NMR spectrum, Mass spectrum
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参考文献7

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