Conformation and stability of adducts of sulfurated cyclic compounds with water: Rotational spectrum of tetrahydrothiophene-water

ME Sanz; JC Lopez; JL Alonso; A Maris; PG Favero; W Caminati

Conformation and stability of adducts of sulfurated cyclic compounds with water: Rotational spectrum of tetrahydrothiophene-water

ME Sanz, JC Lopez, JL Alonso, A Maris, PG Favero, W Caminati^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

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 (C4H8S)-S-32 and (C4H8S)-S-34 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) Angstrom, and the angle between the line bisecting the CSC angle of tetrahydrothiophene and the S ... H bond, phi = 85.(3)degrees. The deviation from collinearity of the atoms S ... H-O is suggested from theta = 162.(12)degrees.

Original language	English
Pages (from-to)	5285-5290
Number of pages	6
Journal	JOURNAL OF PHYSICAL CHEMISTRY A
Volume	103
Issue number	27
Publication status	Published - 8 Jul 1999

Keywords

MILLIMETER-WAVE SPECTRUM
WEAKLY-BOUND COMPLEXES
GAS-PHASE
MICROWAVE SPECTROSCOPY
CLUSTERS
DYNAMICS
SPECTROMETER
MOLECULES
DIMERS

Cite this

@article{cc932670559b458a97e3440e4bed490d,

title = "Conformation and stability of adducts of sulfurated cyclic compounds with water: Rotational spectrum of tetrahydrothiophene-water",

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 (C4H8S)-S-32 and (C4H8S)-S-34 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) Angstrom, and the angle between the line bisecting the CSC angle of tetrahydrothiophene and the S ... H bond, phi = 85.(3)degrees. The deviation from collinearity of the atoms S ... H-O is suggested from theta = 162.(12)degrees.",

keywords = "MILLIMETER-WAVE SPECTRUM, WEAKLY-BOUND COMPLEXES, GAS-PHASE, MICROWAVE SPECTROSCOPY, CLUSTERS, DYNAMICS, SPECTROMETER, MOLECULES, DIMERS",

author = "ME Sanz and JC Lopez and JL Alonso and A Maris and PG Favero and W Caminati",

year = "1999",

month = jul,

day = "8",

language = "English",

volume = "103",

pages = "5285--5290",

journal = "JOURNAL OF PHYSICAL CHEMISTRY A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "27",

}

TY - JOUR

T1 - Conformation and stability of adducts of sulfurated cyclic compounds with water: Rotational spectrum of tetrahydrothiophene-water

AU - Sanz, ME

AU - Lopez, JC

AU - Alonso, JL

AU - Maris, A

AU - Favero, PG

AU - Caminati, W

PY - 1999/7/8

Y1 - 1999/7/8

N2 - 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 (C4H8S)-S-32 and (C4H8S)-S-34 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) Angstrom, and the angle between the line bisecting the CSC angle of tetrahydrothiophene and the S ... H bond, phi = 85.(3)degrees. The deviation from collinearity of the atoms S ... H-O is suggested from theta = 162.(12)degrees.

AB - 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 (C4H8S)-S-32 and (C4H8S)-S-34 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) Angstrom, and the angle between the line bisecting the CSC angle of tetrahydrothiophene and the S ... H bond, phi = 85.(3)degrees. The deviation from collinearity of the atoms S ... H-O is suggested from theta = 162.(12)degrees.

KW - MILLIMETER-WAVE SPECTRUM

KW - WEAKLY-BOUND COMPLEXES

KW - GAS-PHASE

KW - MICROWAVE SPECTROSCOPY

KW - CLUSTERS

KW - DYNAMICS

KW - SPECTROMETER

KW - MOLECULES

KW - DIMERS

M3 - Article

SN - 1089-5639

VL - 103

SP - 5285

EP - 5290

JO - JOURNAL OF PHYSICAL CHEMISTRY A

JF - JOURNAL OF PHYSICAL CHEMISTRY A

IS - 27

ER -

Conformation and stability of adducts of sulfurated cyclic compounds with water: Rotational spectrum of tetrahydrothiophene-water

Abstract

Keywords

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