103Rh chemical shifts complexes

Calculated versus experimentally observed 103Rh chemical shifts for 13 complexes are displayed in Fig. 4 [3]. The nonrelativistic DFT computations (B3LYP hybrid functional) were obviously able to achieve excellent agreement with experiment. In comparison, a nonhybrid functional also achieved a linear relation... 

The results summarized in Figure 2 imply that the observed correlation between 8(103Rh) and catalytic activities for complexes 3 may be indirect rather than intrinsic. The activity is attributed to steric effects related to the bite angle which in turn affects the chemical shifts only indirectly via concomitant changes in the Rh-P bond lengths. 

H and 13C ll NMR spectra for (N)-[I I3Ru3 C6I I5[CH(CH3)CH2)OH] (C6Me6)2(0)]+ show a strong intramolecular hydrogen bond between the p3-oxo cap and the hydroxyl function in acetone solution.346 ll, 13C and 15N chemical shifts were used to probe the coordination of substituted pyridines and aminides to Rh2(02CCF3)4.347 The H, 13C, 31P and 103Rh NMR spectra have been reported for phosphine-phosphonite ferrocenediyl dinuclear rhodium complexes.348 31P NMR data were able to discriminate between enantiomers... 

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