THE MAGNETIC SUSCEPTIBILITY TENSOR IN FORMALDEHYDE.

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1967

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Ohio State University

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The Zeeman effect in the 111→116,212→211 and 313→312 transitions of HH>C=O and DD>C=O has been observed using magnetic field strength up to 11,000 gauss. All Δm=±1 and Δm=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 Xas=(−6.2±0.5)×10−6,Xbb=(−15.8±0.4)×10−6 and Xee=(−23.0±0.4)×10−6 all in units of erggauss2×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 Σixi2Σiyi2 and Σizi2 operators, where xi,yi, and zi 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

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