Fig. 5: Studies on reaction mechanism.
From: Pyrinap ligands for enantioselective syntheses of amines
a The linear effect. b DFT calculations on the stability of two coordination modes. The calculations were performed at the M06/SDD-6-311++G(2d,p)/SMD(toluene)//M06/LANL2DZ-6-31G(d,p) level of theory at 273.15 K. The free energies ΔG are given with respect of Int_N,P. Bond lengths are given in angstroms. c SAESI-MS studies. (i) Expanded SAESI-MS spectrum showing the signal from m/z 540–760. (ii) SAESI-MS/MS spectrum showing the signal of MS-Int. II at m/z 752. (iii) SAESI-MS/MS spectrum showing the signal of MS-Int. V at m/z 929. (iv) SAESI-MS/MS spectrum showing the signal of MS-Int. VI at m/z 991.
