Microwave spectra and structure for SO2⋯H2S, SO2⋯HDS, and SO2⋯D2S complexes

R. E. Bumgarner, D. J. Pauley, Stephen G Kukolich

Research output: Contribution to journalArticle

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Abstract

Microwave spectra for the SO2⋯H2S, SO 2⋯HDS, and SO2⋯D2S complexes were measured using a pulsed beam, Fourier transform microwave spectrometer. Both a-dipole and c-dipole transitions were obtained. A total of 24 transitions were obtained for SO2⋯H2S, yielding A = 8447.3(2), B = 1762.004(7), C= 1538.483(7) MHz, ΔJ = 5.04(2), ΔJK = 65.46(9), ΔK = -323(240), δJ = 0.63(1) and δK = 38(3) kHz. For SO 2⋯HDS, nine transitions yielded A = 8229.7(6), B = 1737.99(1), C= 1519.69(2) MHz, ΔJ = 4.4(4) and ΔJK = 60(2) kHz, and for SO2⋯D2S, 11 transitions yielded A = 8017.6(6), B = 1715.24(2), C = 1501.24(2) MHz, and ΔJ = 3.8(4), ΔJK = 51(2) kHz. For the H2S data only, there are four possible structures for the complex which fit the data. When the deuterium isotope data are included, only two possible structures fit the data. There is only one structure which allows two O⋯H hydrogen bonds, and this is the structure we favor. This analysis basically gives a "stacked" structure with two O⋯H hydrogen bonds and a near van der Waals radius contact between the two sulfur atoms.

Original languageEnglish (US)
Pages (from-to)3749-3752
Number of pages4
JournalThe Journal of Chemical Physics
Volume87
Issue number7
StatePublished - 1987

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microwave spectra
Hydrogen bonds
Microwave spectrometers
Microwaves
Deuterium
Sulfur
Isotopes
Fourier transforms
hydrogen bonds
dipoles
microwave spectrometers
Atoms
deuterium
sulfur
isotopes
radii
atoms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Microwave spectra and structure for SO2⋯H2S, SO2⋯HDS, and SO2⋯D2S complexes. / Bumgarner, R. E.; Pauley, D. J.; Kukolich, Stephen G.

In: The Journal of Chemical Physics, Vol. 87, No. 7, 1987, p. 3749-3752.

Research output: Contribution to journalArticle

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abstract = "Microwave spectra for the SO2⋯H2S, SO 2⋯HDS, and SO2⋯D2S complexes were measured using a pulsed beam, Fourier transform microwave spectrometer. Both a-dipole and c-dipole transitions were obtained. A total of 24 transitions were obtained for SO2⋯H2S, yielding A = 8447.3(2), B = 1762.004(7), C= 1538.483(7) MHz, ΔJ = 5.04(2), ΔJK = 65.46(9), ΔK = -323(240), δJ = 0.63(1) and δK = 38(3) kHz. For SO 2⋯HDS, nine transitions yielded A = 8229.7(6), B = 1737.99(1), C= 1519.69(2) MHz, ΔJ = 4.4(4) and ΔJK = 60(2) kHz, and for SO2⋯D2S, 11 transitions yielded A = 8017.6(6), B = 1715.24(2), C = 1501.24(2) MHz, and ΔJ = 3.8(4), ΔJK = 51(2) kHz. For the H2S data only, there are four possible structures for the complex which fit the data. When the deuterium isotope data are included, only two possible structures fit the data. There is only one structure which allows two O⋯H hydrogen bonds, and this is the structure we favor. This analysis basically gives a {"}stacked{"} structure with two O⋯H hydrogen bonds and a near van der Waals radius contact between the two sulfur atoms.",
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N2 - Microwave spectra for the SO2⋯H2S, SO 2⋯HDS, and SO2⋯D2S complexes were measured using a pulsed beam, Fourier transform microwave spectrometer. Both a-dipole and c-dipole transitions were obtained. A total of 24 transitions were obtained for SO2⋯H2S, yielding A = 8447.3(2), B = 1762.004(7), C= 1538.483(7) MHz, ΔJ = 5.04(2), ΔJK = 65.46(9), ΔK = -323(240), δJ = 0.63(1) and δK = 38(3) kHz. For SO 2⋯HDS, nine transitions yielded A = 8229.7(6), B = 1737.99(1), C= 1519.69(2) MHz, ΔJ = 4.4(4) and ΔJK = 60(2) kHz, and for SO2⋯D2S, 11 transitions yielded A = 8017.6(6), B = 1715.24(2), C = 1501.24(2) MHz, and ΔJ = 3.8(4), ΔJK = 51(2) kHz. For the H2S data only, there are four possible structures for the complex which fit the data. When the deuterium isotope data are included, only two possible structures fit the data. There is only one structure which allows two O⋯H hydrogen bonds, and this is the structure we favor. This analysis basically gives a "stacked" structure with two O⋯H hydrogen bonds and a near van der Waals radius contact between the two sulfur atoms.

AB - Microwave spectra for the SO2⋯H2S, SO 2⋯HDS, and SO2⋯D2S complexes were measured using a pulsed beam, Fourier transform microwave spectrometer. Both a-dipole and c-dipole transitions were obtained. A total of 24 transitions were obtained for SO2⋯H2S, yielding A = 8447.3(2), B = 1762.004(7), C= 1538.483(7) MHz, ΔJ = 5.04(2), ΔJK = 65.46(9), ΔK = -323(240), δJ = 0.63(1) and δK = 38(3) kHz. For SO 2⋯HDS, nine transitions yielded A = 8229.7(6), B = 1737.99(1), C= 1519.69(2) MHz, ΔJ = 4.4(4) and ΔJK = 60(2) kHz, and for SO2⋯D2S, 11 transitions yielded A = 8017.6(6), B = 1715.24(2), C = 1501.24(2) MHz, and ΔJ = 3.8(4), ΔJK = 51(2) kHz. For the H2S data only, there are four possible structures for the complex which fit the data. When the deuterium isotope data are included, only two possible structures fit the data. There is only one structure which allows two O⋯H hydrogen bonds, and this is the structure we favor. This analysis basically gives a "stacked" structure with two O⋯H hydrogen bonds and a near van der Waals radius contact between the two sulfur atoms.

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