Tetrahydrothiophene

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  • Conformation and Stability of Adducts of Sulfurated Cyclic Compounds with Water: Rotational Spectrum of Tetrahydrothiophene-Water
    The Journal of Physical Chemistry A, 1999
    Co-Authors: M. Eugenia Sanz, And Juan C. López, José L. Alonso, Assimo Maris, And Paolo G. Favero, Walther Caminati
    Abstract:

    The ground-state rotational spectrum of the Tetrahydrothiophene···water complex (C4H8S···H2O) has been studied by free jet millimeter wave absorption and molecular beam Fourier transform microwave spectroscopy. The spectra of H2O and D2O combined with C4H832S and C4H834S were assigned. The rotational parameters have been interpreted in terms of a geometry in which the water molecule acts as proton donor lying close to the plane bisector to the CSC angle of Tetrahydrothiophene. The “free” hydrogen is entgegen to the ring. The parameters characterizing the hydrogen bond are the distance between the sulfur and hydrogen atoms, r(S···H) = 2.37(4) A, and the angle between the line bisecting the CSC angle of Tetrahydrothiophene and the S···H bond, φ = 85.(3)°. The deviation from collinearity of the atoms S···H−O is suggested from θ = 162.(12)°.

  • observation and properties of the hydrogen bonded heterodimer Tetrahydrothiophene hcl
    Journal of Physical Chemistry A, 1998
    Co-Authors: Maria Sanz, J. C. Lopez, José L. Alonso
    Abstract:

    The ground-state rotational spectra of five isotopic species, C4H832S···H35Cl, C4H832S···H37Cl, C4H832S··· D35Cl, C4H832S···D37Cl, and C4H834S···H35Cl, of a hydrogen-bonded dimer between Tetrahydrothiophene and hydrogen chloride have been measured in the frequency range 6−18.5 GHz using a molecular beam Fourier transform microwave spectrometer. Spectral analysis gave rotational, quartic centrifugal distortion and Cl−nuclear quadrupole coupling constants for each isotopomer. The rotational and quadrupole coupling constants have been interpreted in terms of a geometry in which hydrogen chloride lies on the plane bisector to the CSC angle of Tetrahydrothiophene. The angle between the S···Cl internuclear line and the line bisecting the CSC angle was found to be 86.6(7)° and the distance r(S···Cl) = 3.48(3) A. The deviation of the atoms S···H−Cl involved in the hydrogen bond from a collinear arrangement (θ = 0°) was estimated to be θ ∼ 14°.

  • Observation and Properties of the Hydrogen-Bonded Heterodimer Tetrahydrothiophene···HCl
    The Journal of Physical Chemistry A, 1998
    Co-Authors: Maria Sanz, J. C. Lopez, José L. Alonso
    Abstract:

    The ground-state rotational spectra of five isotopic species, C4H832S···H35Cl, C4H832S···H37Cl, C4H832S··· D35Cl, C4H832S···D37Cl, and C4H834S···H35Cl, of a hydrogen-bonded dimer between Tetrahydrothiophene and hydrogen chloride have been measured in the frequency range 6−18.5 GHz using a molecular beam Fourier transform microwave spectrometer. Spectral analysis gave rotational, quartic centrifugal distortion and Cl−nuclear quadrupole coupling constants for each isotopomer. The rotational and quadrupole coupling constants have been interpreted in terms of a geometry in which hydrogen chloride lies on the plane bisector to the CSC angle of Tetrahydrothiophene. The angle between the S···Cl internuclear line and the line bisecting the CSC angle was found to be 86.6(7)° and the distance r(S···Cl) = 3.48(3) A. The deviation of the atoms S···H−Cl involved in the hydrogen bond from a collinear arrangement (θ = 0°) was estimated to be θ ∼ 14°.