Stereochemical structure determination of p-cymene Ru(II) complexes containing the PPh2Py ligand with 2-D NOESY and HMQC NMR experiments

Complexes [Ru(p-cymene)Cl2(PPh2Py)] (1) and [Ru(p-cymene)Cl(PPh2Py)]BF4 (2) were studied by means of 1H, 13C{1H} 2-D NOESY and HMQC NMR spectral methods. NMR data agree with C1 and Cs symmetries for complexes 1 and 2, respectively. NOESY cross-peaks allowed the assignment of signals to CH arene protons and in the case of complex 2 the determination of the molecular stereochemistry. These results are in agreement with the X-ray molecular structures of both complexes.