SPIN ROTATION AND NUCLEAR QUADRUPOLE INTERACTION AT $O^{17}$ IN $O^{17}CH_{2}$.
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Date
1965
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Ohio State University
Abstract
The spin rotation and nuclear quadrupole interactions have been observed at $O^{17}$ in $O^{17}CH_{2}$ by high resolution microwave spectroscopy microwave spectroscopy. The experimental values are $X_{aa} = -1.89 \pm .01 Mc, X_{bb} = + 12.37 = .01 Mc, X_{cc} = -10.48 Mc, M_{aa} = + .371 \pm .01 Mc, M_{bb} = .025 \pm .01 Mc$, and $M_{cc} = -.002 \pm .01$ Mc. The a-axis is along the O-C bond, and the c-axis perpendicular to the molecular plane. The $C^{13}$ spin rotation interaction of $O^{16}C^{12}H_{2}$ could not be observed and we can place an upper limit of $M^{Cu}_{aa} <|.167|Mc$, on this component. We also systematically searched for a rotational dependent field gradient at the $O^{17}$ nucleus with no success. The oxygen field gradients have been gradients have been computed using the best available SCF wave $functions.^{1}$ The calculated results agree poorly with experiment which indicates the SCF functions are not sensitive to the outer electron distribution near the oxygen nucleus. A set of hybrid orbitals is constructed to compute the correct values for the oxygen field gradients.
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$^{1}$ J. M. Foster and S. F. Boys, Rev. Mod. Phys. 32, 303 (1960).
Author Institution: Department of Chemistry, University of Illinois
Author Institution: Department of Chemistry, University of Illinois