1H and 13C NMR of substituted chromium tricarbonyl complexes; substituent effects and Cr(CO3) conformation

Abstract
It is shown that 13C NMR is not suitable for determining the conformation of the Cr(CO)3 group in monosubstituted chromium tricarbonyl complexes. However,. 1H NMR can be used for such determinations if one takes substituent effects into account, whn necessary, and an appropriate relationship is proposed. The populations, xA, of the eclipsed conformer so obtained for various substituents increase with the π donor ability of the substituent. These results are consistent with X‐ray results and with Carter and Hoffmann's models.
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