Platinum-195 shielding tensors in potassium hexachloroplatinate(IV) and potassium tetrachloroplatinate(II)

Tetrakis(1-3-diazinane-2-thione)platinum(II) chloride monohydrate complex: Synthesis, spectroscopic characterization, crystal structure and in vitro cytotoxic activity against A549, MCF7, HCT15 and HeLa human cancer lines

“…The potassium tetrachloroplatinate(II) is reported to have an axial symmetry, and the tensor has a very large chemical shift anisotropy of 10,414 ppm [45]. The 195 Pt NMR chemical shift of complex 1 lies in the same range observed for other Pt(II) complexes surrounded by four sulfur containing ligands in square planar geometry [46,47]. The observed lower anisotropy in our complex may be attributed to the deviation from the perfect axial symmetry as shown in Fig.…”

Analyzing Pt chemical shifts calculated from relativistic density functional theory using localized orbitals: The role of Pt 5d lone pairs

“…The computed shielding anisotropy (σ xx − σ zz is 8571.32 ppm, which is somewhat smaller but of the same order of magnitude as the 10 414(9) ppm anisotropy reported by Sparks and Ellis from solid-state NMR measurements. [75] The paramagnetic + spin-orbit terms of the two equivalent in-plane tensor components are dominated by the 5d xz and 5d yz orbital contributions, respectively. Consider again the qualitative orbital rotation picture (Figs 2-4 and Table 1).…”

New methods for the acquisition of ultra-wideline solid-state NMR spectra of spin-1/2 nuclides

“…195 Pt NMR has been employed to study a broad range of platinum-containing materials including catalytic systems [10,37,72,73], semi-conductors [74], and various platinum coordination complexes [43,[75][76][77][78][79]. There is great variation in the magnitude of known platinum CSAs [80]: to date, the largest reported span obtained from 195 Pt SSNMR is that of K 2 PtCl 4 (X = 10414 ppm) [38]. We chose K 2 PtCl 4 to test the effectiveness of WURST-CPMG for patterns beyond the observable bandwidth of a WURST experiment.…”

“…Based on similar experiments on SnO, we estimate that using the CPMG sequence to obtain a 195 Pt NMR spectrum of similar quality would require at least 9 h (please refer to the Supporting Information for a full explanation of this estimate), as the reduced excitation bandwidth would necessitate the acquisition of more sub-spectra. Using an MAS experiment, Ellis et al were able to acquire the total 195 Pt NMR spectrum in a piecewise fashion by collecting seven sub-spectra; [38] unfortunately, no experimental time is given for comparison. Not only does the WURST-CPMG experiment reduce the number of sub-spectra required to obtain the total powder pattern, it also provides a manifold of echo spikelets from which the platinum CS tensor can be accurately extracted, and avoids spectral artifacts from magic-angle mis-sets, resulting in a better overall powder pattern shape with a higher S/N.…”

“…4 MHz in breadth [10,37]. Ellis and coworkers also carried out UW 195 Pt NMR experiments, though they employed MAS to acquire the extremely broad spectrum of K 2 PtCl 4 [38]. MAS techniques have also been used to acquire broad 119 Sn [39,40] and 199 Hg spectra [41].…”