NMR Study of the Zinc Chalcogenides (ZnX, X = O, S, Se, Te)

Abstract

A nuclear magnetic resonance investigation of the solid zinc chalcogenides ZnX (X = 0, S, Se, Te) is carried out, using the following nuclei as probes, 67Zn, 170, 33S. W e , and lz5Te. The spectra yield nuclear quadrupole coupling constants and chemical-shift parameters for polycrystalline ZnO and

High Field 33S Solid State NMR and First-Principles Calculations in Potassium Sulfates

“…The technique, however, has seen very few applications, with just over 10 publications on the subject being produced in the past 25 years. [5][6][7][8][9][10][11][12][13][14][15][16] The problem arises mainly from the great difficulty in obtaining the spectra. The only magnetically active isotope, 33 S, has a low natural abundance of 0.75%, and is a spin 3/2 quadrupolar nucleus with rather small magnetogyric ratio γ (absolute resonance frequency Θ ) 7.676 MHz).…”

Testing the sensitivity limits of 33S NMR: An ultra-wideline study of elemental sulfur

“…Matters are made worse by its low gyromagnetic ratio of 2.06 Â 10 7 rad T À1 s À1 , which puts it at the lower end of the NMR scale in terms of inherent signal strength. Considering each of these factors, it is perhaps not surprising that the number of published solid-state NMR studies utilizing this nucleus is so small [1][2][3][4][5][6][7][8][9][10][11][12][13][14]. However, after getting off to a very slow start during the 1980s and 1990s [1][2][3], 33 S solid-state NMR seems to be finally gaining some popularity as a useful and informative probe of the structural environment in sulfur-containing compounds [4][5][6][7][8][9][10][11][12][13][14].…”

“…The pioneering 33 S solid-state NMR studies were carried out on natural abundance, model systems such as sulfides and sulfates [1][2][3][4], which in general contain sulfur environments that are either spherically symmetric in the former case or only slightly distorted from tetrahedral symmetry in the latter. Such samples generally exhibit quadrupolar coupling constants of ca.…”

67Zn NMR investigation of zinc halides

“…In addition to c-ZnCl 2 and ZnF 2 calculated values for ZnO and ZnS (hex) are listed in Table 2. Structures for both the latter compounds have been accurately determined and the calculated V zz are also in good agreement with the experimental values, obtained from [3] using Q ¼ 0:150 Â 10 À28 m 2 jej. Note that for hexagonal ZnS the calculated low V zz nicely reflects the unmeasurably small experimental value [3].…”

“…A number of reports of 67 Zn solid-state NMR investigations have appeared in recent years [2][3][4][5][6]. In all cases but [6] (where the sample was enriched in 67 Zn), the spectra were obtained with 67 Zn in natural abundance.…”