MICROWAVE SPECTRUM, DIPOLE MOMENT, AND QUADRUPOLE COUPLING CONSTANTS OF 1, 2, 5 THIADIAZOLE
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Date
1963
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Ohio State University
Abstract
“The microwave spectra of four isotopic species of 1, 2, 5 thiadiazole have been assigned and analyzed. The inertial defect indicates that the molecule is planar in the ground vibrational state. Moments of inertia obtained from these analyses together with the center of mass condition gave the following structural parameters: $S-N = 1.631 \pm 0.003$ {\AA}, $C-N = 1.328 \pm 0.003$ {\AA}, $C-C= 1.420 \pm 10’$. The dipole moment is $1.565 \pm 0.015$ D. Quadrupole coupling constants are $|\chi_{AA}| < 1$ Mc and $\chi_{CC-} \chi_{BB} = 5.3 \pm 0.3$ Mc. These were obtained by a direct comparison of two corresponding transitions of thiadiazole and diazirine, a molecule whose quadrupole coupling constants have been determined from microwave data. An analysis of the hyperfine structure for high J Q-branch transition using a limiting expression for the splittings confirmed the value and sign of $\chi_{CC-}\chi_{BB}$. The structural parameters will be discussed and compared with electron diffraction results of Bonham and Momany.”
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Author Institution: Department of Chemistry, University of Notre Dame