Electron diffraction study on the molecular structure of methane sulphonyl fluoride

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Abstract

The molecular structure of methane sulphonyl fluoride in the vapour state was studied by electron diffraction. Assuming a value of 2.480 Å for the distance between the oxygen atoms from a microwave determination, the following geometrical parameters (ra structure) have been obtained: r(C-H) = 1.093±0.010Å, r(S-O) = 1.410±0.003 Å, r(S-F) = 1.561 ±0.004 Å, r(S-C) = 1.759±0.006 Å, ∠F-S-C = 98.2±1.5°, ∠-S-F = 106.2±0.4°, ∠-O-S-O = 123.1 ±1.5° and ∠H-C-H = 112.9±1.9°. All the observed variations in the molecular geometries of (CH3)2SO2, CH3SO2Cl, CH3SO2F and SO2F2 may be accounted for by the valence shell electron pair repulsion theory. It is particularly advantageous to combine electron diffraction and microwave data in studying sulphone molecular geometries.

Original languageEnglish
Pages (from-to)399-408
Number of pages10
JournalJournal of Molecular Structure
Volume15
Issue number3
DOIs
Publication statusPublished - 1973

Fingerprint

Methane
Molecular Structure
Fluorides
Electron diffraction
Molecular structure
fluorides
molecular structure
methane
electron diffraction
Microwaves
Electrons
microwaves
Sulfones
sulfones
Geometry
geometry
oxygen atoms
Vapors
vapors
Oxygen

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Electron diffraction study on the molecular structure of methane sulphonyl fluoride. / Hargittai, I.; Hargittai, M.

In: Journal of Molecular Structure, Vol. 15, No. 3, 1973, p. 399-408.

Research output: Contribution to journalArticle

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title = "Electron diffraction study on the molecular structure of methane sulphonyl fluoride",
abstract = "The molecular structure of methane sulphonyl fluoride in the vapour state was studied by electron diffraction. Assuming a value of 2.480 {\AA} for the distance between the oxygen atoms from a microwave determination, the following geometrical parameters (ra structure) have been obtained: r(C-H) = 1.093±0.010{\AA}, r(S-O) = 1.410±0.003 {\AA}, r(S-F) = 1.561 ±0.004 {\AA}, r(S-C) = 1.759±0.006 {\AA}, ∠F-S-C = 98.2±1.5°, ∠-S-F = 106.2±0.4°, ∠-O-S-O = 123.1 ±1.5° and ∠H-C-H = 112.9±1.9°. All the observed variations in the molecular geometries of (CH3)2SO2, CH3SO2Cl, CH3SO2F and SO2F2 may be accounted for by the valence shell electron pair repulsion theory. It is particularly advantageous to combine electron diffraction and microwave data in studying sulphone molecular geometries.",
author = "I. Hargittai and M. Hargittai",
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T1 - Electron diffraction study on the molecular structure of methane sulphonyl fluoride

AU - Hargittai, I.

AU - Hargittai, M.

PY - 1973

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N2 - The molecular structure of methane sulphonyl fluoride in the vapour state was studied by electron diffraction. Assuming a value of 2.480 Å for the distance between the oxygen atoms from a microwave determination, the following geometrical parameters (ra structure) have been obtained: r(C-H) = 1.093±0.010Å, r(S-O) = 1.410±0.003 Å, r(S-F) = 1.561 ±0.004 Å, r(S-C) = 1.759±0.006 Å, ∠F-S-C = 98.2±1.5°, ∠-S-F = 106.2±0.4°, ∠-O-S-O = 123.1 ±1.5° and ∠H-C-H = 112.9±1.9°. All the observed variations in the molecular geometries of (CH3)2SO2, CH3SO2Cl, CH3SO2F and SO2F2 may be accounted for by the valence shell electron pair repulsion theory. It is particularly advantageous to combine electron diffraction and microwave data in studying sulphone molecular geometries.

AB - The molecular structure of methane sulphonyl fluoride in the vapour state was studied by electron diffraction. Assuming a value of 2.480 Å for the distance between the oxygen atoms from a microwave determination, the following geometrical parameters (ra structure) have been obtained: r(C-H) = 1.093±0.010Å, r(S-O) = 1.410±0.003 Å, r(S-F) = 1.561 ±0.004 Å, r(S-C) = 1.759±0.006 Å, ∠F-S-C = 98.2±1.5°, ∠-S-F = 106.2±0.4°, ∠-O-S-O = 123.1 ±1.5° and ∠H-C-H = 112.9±1.9°. All the observed variations in the molecular geometries of (CH3)2SO2, CH3SO2Cl, CH3SO2F and SO2F2 may be accounted for by the valence shell electron pair repulsion theory. It is particularly advantageous to combine electron diffraction and microwave data in studying sulphone molecular geometries.

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