Huckel molecular orbital calculations, for

Data from the 31P NMR spectra of some [RhXL3] complexes are collected in Table 7. The l03Rh NMR spectrum of RhCl(PPh3)3 has also been obtained. In addition to the coupling constants recorded in Table 7 the additional coupling constant 3/[P(l)-Rh-P(2)] was evaluated as — 38 Hz.176 The NMR data have been used in Huckel molecular orbital calculations for some [RhCl(PR3)3] species.177... 

Figure 21.10 Results of the Huckel Molecular Orbital Calculation for 1,3-Butadiene.

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