Add time:08/16/2019 Source:sciencedirect.com
ESR spectra of liquid and solid solutions of Cr(C6H6)2I have been measured. Even in solid solution the spectra show a well resolved proton hyperfine structure which is explained by rotation of the Cr(C6H6)+2 cation around its main axis. An analysis of the 53Cr hyperfine coupling constants indicates that the unpaired electron is in the A1g (3dz2) orbital. The experimental results agree fairly well with the results of an extended Hückel MO calculation.
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