Publicité

Commentaire : The experimental (δexp) and theoretical (δtheo) chemical shifts are summarized in Tables S2-a and S2-b for 1H-NMR and 13C-NMR, respectively. The experimental chemical shifts of the proton (see Table S2-a) indicate the presence of six characteristic sig- nals of the protons carried by quinoline, which are located in the intervals of: [7.31–9.14], [6.50–9.37], and [7.76–9.90] ppm, respectively, for the Au1, Au2, and Au4 complexes [82]. The calculated chemical shifts are in the intervals [6.93–9.21], [5.58–9.58], and [7.65–9.98] ppm. The proton chemical shifts for the Fe(III) complexes are found in the ranges [6.60–8.99], [5.45–9.27], and [7.59–9.22], respec- tively, in the Fe1, Fe2, and Fe4 complexes. These displace- ments are due to the resonance of chemically non-equivalent nuclei. The experimental spectrum of the Au3a complex is characterized by the presence of a triplet at approximately 3.52 ppm, which corresponds to the ­CH3protons of the mesyl group. The electronic cloud of the last mesyl group is denser because of its electro-attractive character compared to the quinoline nucleus. Consequently, a strongly shielded effect is observed. The corresponding theoretical mean value is 3.24 ppm for the Au3a complex, and it is 3.37 ppm for the Fe3a complex. On the experimental spectrum of the Au3b complex, three types of aromatic protons appear. They cor- respond to those of toluene in the tosyl group in the 8-qui- noline position with a chemical shift of 7.67 ppm for the protons in the ortho position, 7.27 ppm for the protons in the meta position, and a shift of 2.29 ppm for the protons of the ­CH3 group [82]. The calculated values are not very far from the experimental values, but they are overestimated by shift differences of 0.86, 0.40, and 0.25 ppm, respectively. For the Fe3b complex, the same shifts are observed around 7.67, 8.30, and 2.48 ppm. A doublet at 6.50 ppm, corresponding to the protons of the –NH2 group in the 8-quinoline position appears on the experimental spectrum of the Au2 complex, and the calculated value is underestimated by 0.72 ppm. The same calculation on the Fe2 complex leads to a chemical shift of the order of 5.45 ppm. Experimental and theoretical 4 1 H-NMR chemical shifts are reported in Table S2-a and C-NMR shifts in Table S2-b. The theoretical and experi- mental values are in the same regions for the Au(III)-based complexes. This allows us to assume that it will be the same for the complexes based on Fe(III), for which we have no experimental data.

Format du document : application/vnd.openxmlformats-officedocument.wordprocessingml.document