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. 2020 Jun 17;11(26):6724–6735. doi: 10.1039/d0sc02321c

Fig. 3. Plot of experimental isotropic chemical shifts (δexp) versus calculated isotropic shieldings (σcalc) for geometry-optimized organometallic complexes (OAr = 2,6-di-tert-butyl-4-methylphenoxy). The linear least-squares fit obtained gave the following equation: δcalc = –0.727σcalc + 2114.1.

Fig. 3