An approximate absolute ³³S nuclear magnetic shielding scale

Abstract

. Can. J. Chem. 62, 981 (1984).Sulfur-33 chemical shifts have been measured for a number of simple compounds, e.g. SF6, HFSO,, XzSOz, SOz, CI2SO, CH3SH, H2S, and OCS, which have not been previously reported. Our results indicate that the range of "S chemical shifts is approximately 1000 ppm, slightly less than that observed for 170 and approximately one half the range reported for 77Se. Using the "S nuclear spin-rotation constant of OCS measured by molecular-beam electric resonance and Flygare's procedure, an absolute "S shielding constant of 843 t 12 ppm is calculated for OCS, permitting an approximate absolute shielding scale to be proposed for this nucleus. On a mesure les deplacements chimiques du soufre-33 d'un certain nombrc de composCs simples (comme le SF,, le HFS03, le XZS02, le SOZ, le CIzSO, le CH3SH. le HZS et le OCS) qui n'avaient pas tti CtudiCs antkrieurement. Nos rksultats indiquent que les diplacements chirniques du "S s'etalent sur environ 1000 ppm; cette valeur n'cst que ICgkrement infkrieure aux valeurs observees pour le 170 et n'est approximativement que la moitie de la valeur rapportie pour le 7 7~e .En utilisant la constante de rotation de spin nuclkaire du 33S du OCS niesurCe par resonance electrique de faisceau mol6culaire ct par la mCthode de Flygare, on peut calculer que la constante de blindage du "S du OCS est &gale 843 t 12 ppm; ceci permet de proposer une Cchelle absolue et approximative du blindage provoque par ce noyau.[Traduit par le journal]

Deuterium isotope effects on nuclear shielding constants and spin–spin coupling constants in the ammonium ion, ammonia, and water

“…[4] and [5] Tables 1-3 is that the isotope shifts in the ammonium ion and ammonia are not perfectly additive. Although we previously observed nonadditivity in the 14N chemical shifts of the ammonium ion (20) the 15N results in Tables 1 are slightly more accurate. Deuterium isotope shifts on nitrogen shielding in the ammonium ion have been previously reported by numerous workers (2 1-24); however, due to the experimental errors, deviations from strict additivity were not observed.…”

An improved 33S nuclear magnetic shielding scale from the gas‐phase study of COS

“…1, and therefore it was available for earlier observation. 4 In the absence of baseline distortion, the position of each signal in Fig. 1 was carefully estimated and the linear dependence of sulfur shielding on density was found in the gas phase.…”

Deuterium isotope effects on the 119Sn shielding constants and spin–spin coupling constants in stannane and the stannonium cation

“…If secondary isotope effects on mean bond displacement are not neglected, deviations from additivity may be predicted. For a tetrahedral species ADnH4 -, (n 5 4) Jameson and Osten have predicted deviations from additivity to be in the ratio 0:3:4:3:0 (4,7,12). In the case of ND,H4-,,+ (n 5 4) the ratio was observed to be 0:2.…”

“…7. Deviations from strict additivity have been noticed in a few cases (4,12); however, in general the experimental error associated with measuring isotope shifts is larger than any deviation from additivity. If secondary isotope effects on mean bond displacement are not neglected, deviations from additivity may be predicted.…”