The Use of NMR Spectroscopy as a Structural Probe in Ferrocene Chemistry

All of the acetylalkylferrocenes have been synthesized and obtained in a highly pure state. The infrared and NMR spectrum of each of these compounds has been determined, and the results tabulated. It has been shown that NMR spectroscopy provides a convenient tool in elucidating the structure of substituted ferrocenes. It is particularly useful in distinguishing between 1,2-and 1,3-disubstituted structures, a situation where infrared has its greatest limitations. A series of shielding constants has been developed for a variety of ferrocene substitu-ents. These enable one to predict with considerable precision the chemical shifts of a variety of protons bonded to the ferrocene nucleus.

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