Table 1.
1H-NMR parameters and HR-ESI(+) mass spectrometry data for the mono-protonated species of taci·3HCl, taci·2H2O, cationic complex 1, its hydrolyzed products: h1, h2, h3 and cationic complex 2.
| Compound | pH |
1H NMR, δ [ppm], J [Hz] |
HR-ESI(+)-MS Data, m/z /Main Peak for [comp.]+/ |
||||
|---|---|---|---|---|---|---|---|
| δ, H-(C-NH2)/ 3JHH /3JPtH |
δ, H-(C-OH)/ 3JHH |
Composition | Observed Mass, Da | Calculated Mass, Da | Error [ppm] | ||
| taci·3HCl | 3.0 | 3.69/3.28/- | 4.43/3.24 | [C6H15N3O3-H]+ | 178.1197 | 178.1192 | 2.81 |
| taci·2H2O | 9.5 | 2.76/3.00/- | 3.82/2.98 | [C6H15N3O3-H]+ | 178.1196 | 178.1192 | 2.25 |
| fac-[Pt(taci)I3]+, 1 | 5.5 | 3.28/4.42 47.0 | 4.43/4.30 | [C6H15N3O3I3Pt]+ | 752.7895 | 752.7895 | 0.66 |
| fac,cis-[Pt(taci)I2OH]+, h1 | 7.4 | 3.43/4.36/48.0 | 4.35/4.30 | [C6H16N3O4I2Pt]+ | 642.8875 | 642.8873 | 0.31 |
| 2.91/4.30/33.1 | 4.50/n.a. | ||||||
| fac,cis-[Pt(taci)I(OH)2]+, h2 | 7.4 | 3.48/4.30/49.0 | 4.41/4.34 | [C6H17N3O5IPt]+ | 532.9865 | 532.9855 | 1.88 |
| 3.10/4.30/38.3 | 4.27/4.34 | ||||||
| fac-[Pt(taci)(OH)3]+, h3 | 7.4 | 3.23/4.25/41.7 | 4.35/4.22 | [C6H18N3O6Pt]+ | 423.0836 | 423.0838 | 0.47 |
| bis-[Pt{(taci)2-3H}]+, 2 | 9.5 | 3.04/4.30/42.3 | 4.33/4.30 | [C12H27N6O6Pt]+ | 546.1643 | 546.1643 | 0.37 |