Nuclear Quadrupole Coupling in the Rotational Spectrum of Thionyl Chloride

Merke, I.; Dreizler, H.

doi:10.1515/zna-1992-1111

Cited by 7 publications

(1 citation statement)

References 9 publications

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“…Comparison of the sulfur chlorine compounds sulfur dichloride SC1 2 [18], thionyl chloride, SOCl 2 [19], and sulfuryl chloride, S0 2 C1 2 , all of them measured with high resolution in our laboratory, is not strictly possible, as in the case of SOCl 2 it was not possible to determine the three off diagonal elements x g g ,g =t = g' of the coupling tensor. The present limitation is by computer core and time.…”

Section: Analysis and Discussionmentioning

confidence: 98%

Quadrupole Hyperfine Structure in the Rotational Spectra of Sulfuryl Chloride

Merke¹,

Dreizler

1992

Zeitschrift Für Naturforschung A

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The nuclear quadrupole coupling of [35Cl,35Cl]- and [35Cl,37Cl]-sulfuryl chloride, SO2Cl2 was investigated using waveguide microwave Fourier transform (MWFT) spectroscopy. The analysis was performed with direct diagonalization of the Hamiltonian matrix. It was possible to determine the complete coupling tensor with high accuracy. SO235Cl2 : χaa ( 35Cl1) = χaa(35Cl2) = -33.049(6) MHz, χcc (35Cl1) = χcc (35Cl2) = 40.356 (9) MHz, χab (35Cl1) = - χab(35Cl2) = + 52.67 (63) MHz. SO235C137C1: xaa ( 35Cl)= -29.582(17) MHz, χcc(35Cl) = 40.340(25) MHz, χab(35Cl)= +52.3(14) MHz, χaa(37Cl)= -28.723(18) MHz, χcc(37Cl) = 31.822(28) MHz, χab,(37Cl) = + 37.3(19) MHz. We also determined the quadrupole coupling constants in their principal axes system. In comparison with the structure, the z-axis of the coupling tensor was found to be tilted 2.0° out off the S-Cl bond axis

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Section: Analysis and Discussionmentioning

confidence: 98%