THE MAGNETIC SUSCEPTIBILITY TENSOR IN FORMALDEHYDE.
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Date
1967
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Ohio State University
Abstract
The Zeeman effect in the $1_{11}\rightarrow 1_{16}, 2_{12}\rightarrow 2_{11}$ and $3_{13}\rightarrow 3_{12}$ transitions of $^{H}_{H}>C=O$ and $^{D}_{D}>C=O$ has been observed using magnetic field strength up to 11,000 gauss. All $\Delta m = \pm1$ and $\Delta m=0$ transitions have been completely resolved. The spectra cannot be explained by only the first and higher order perturbations involving the elements in the molecular g-value tensor. The frequency shifts can be explained by including the quadratic field dependence involving the magnetic susceptibility tensor. The diagonal elements in the susceptibility tensor are found to be $X_{as}=(-6.2 \pm 0.5) \times 10^{-6}, X_{bb}=(-15.8\pm0.4) \times 10^{-6}$ and $X_{ee}= (-23.0\pm0.4) \times 10^{-6}$ all in units of $\frac{erg}{gauss^{2} \times Mole}$ The formerly known g-values have been redetermined with considerable improvement in accuracy. Both X and g-values can be used to deduce the elecronic ground state average value of the $\Sigma_{i} x^{2}_{i} \Sigma_{i} y^{2}_{i}$ and $\Sigma_{i} z^{2}_{i}$ operators, where $x_{i}, y_{i}$, and $z_{i}$ are measured from the center of mass of the molecule and the sum is carried out over all electrons. The new experimental constants are valuable as a further check of electronic ground state functions. Computer calculations have been performed and the results will be discussed.
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Author Institution: Noyes Chemical Laboratory, University of Illinois