Quadrupole Hyperfine Structure in the Rotational Spectra of Sulfuryl Chloride

The nuclear quadrupole coupling of [ Cl, Cl]- and [ Cl, Cl]-sulfuryl chloride, SO Cl 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...

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Veröffentlicht in:Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 1992-11, Vol.47 (11), p.1153-1156
Hauptverfasser: Merke, Ilona, Dreizler, Helmut
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container_title Zeitschrift für Naturforschung. A, A journal of physical sciences
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creator Merke, Ilona
Dreizler, Helmut
description The nuclear quadrupole coupling of [ Cl, Cl]- and [ Cl, Cl]-sulfuryl chloride, SO Cl 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. SO Cl : χaa ( Cl1) = χ Cl2) = -33.049(6) MHz, χ ( Cl1) = χ ( Cl2) = 40.356 (9) MHz, χ ( Cl1) = - χ Cl2) = + 52.67 (63) MHz. SO C137C1: xaa ( Cl)= -29.582(17) MHz, χ Cl) = 40.340(25) MHz, χ Cl)= +52.3(14) MHz, χ Cl)= -28.723(18) MHz, χ Cl) = 31.822(28) MHz, χ ,( Cl) = + 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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The analysis was performed with direct diagonalization of the Hamiltonian matrix. It was possible to determine the complete coupling tensor with high accuracy. SO Cl : χaa ( Cl1) = χ Cl2) = -33.049(6) MHz, χ ( Cl1) = χ ( Cl2) = 40.356 (9) MHz, χ ( Cl1) = - χ Cl2) = + 52.67 (63) MHz. SO C137C1: xaa ( Cl)= -29.582(17) MHz, χ Cl) = 40.340(25) MHz, χ Cl)= +52.3(14) MHz, χ Cl)= -28.723(18) MHz, χ Cl) = 31.822(28) MHz, χ ,( Cl) = + 37.3(19) MHz. We also determined the quadrupole coupling constants in their principal axes system. 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subjects Atomic and molecular physics
Exact sciences and technology
Fine and hyperfine structure
Molecular properties and interactions with photons
Physics
Properties of molecules and molecular ions
title Quadrupole Hyperfine Structure in the Rotational Spectra of Sulfuryl Chloride
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