The59Co NMR was studied in single crystals of a number of cobalt (III) complexes at room temperature. A procedure was developed for the numerical analysis of the spectra, and the chemical shift and quadrupole coupling tensors were determined. In cobaltocenium nitrate (e2qQthinsp;sol;thinsp;hthinsp;equals;thinsp;165.6Mcsol;secrpar;one shift tensor component was used to obtain an improved gyromagnetic ratio for59Co:ggr;thinsp;equals;thinsp;1.0035kcsol;secmiddot;G. For the substituted octahedral complexestranshyphen;Co en2Cl2Clmiddot;HClmiddot;2H2Olpar;e2qQthinsp;sol;thinsp;hthinsp;equals;thinsp;71.7Mcsol;secrpar;; Co(NH3)5CNCl2lpar;e2qQthinsp;sol;thinsp;hthinsp;equals;thinsp;26.6Mcsol;secrpar;; Co(NH3)4CO3Brlpar;e2qQthinsp;sol;thinsp;hthinsp;equals;thinsp;18.8Mcsol;sec; andtranshyphen;Co en2(NO2)2NO3lpar;e2qQthinsp;sol;thinsp;hthinsp;equals;thinsp;13.2Mcsol;secrpar;, a linear dependence of the shift anisotropylpar;sgr;zzminus;sgr;yythinsp;equals;thinsp;plus;thinsp;4.6permil;, minus;thinsp;2.2permil;, plus;thinsp;1.5permil;, and plus;thinsp;0.4permil;) on the quadrupole coupling constant was found. The molecular orbital theory was used to interpret the results.
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