1. A revised experimental absolute magnetic shielding scale for oxygen.
- Author
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Wasylishen, Roderick E. and Bryce, David L.
- Subjects
- *
OXYGEN , *MAGNETIC shielding - Abstract
A revised absolute magnetic shielding scale for oxygen is established based on a recently reported highly precise experimental measurement of the [SUP17]O spin-rotation constant in carbon monoxide. The isotropic oxygen magnetic shielding constant for [SUP12]C[SUP17]O at the equilibrium geometry, σ[SUBe], is found to be -56.8 ± 0.6 ppm. The experimental rovibrationally averaged value of the shielding constant at 300 K, 〈&sigma 〉[SUB300K], is -62.7 ±0.6 ppm, in excellent agreement with the ab initio value reported by Vaara et al. [J. Chem. Phys. 109, 8388 (1998)]. Based on the revised scale and on experimentally known oxygen chemical shifts, 〈σ〉[SUB300K] (H[SUB2]O(l)) is 287.5 ± 0.6 ppm and 〈σ〉 [SUB300K] (H[SUB2]0(g)) is 323.6 ± 0.6ppm. [ABSTRACT FROM AUTHOR]
- Published
- 2002
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