On the molecular structure of fluorosulphuric acid methyl ester as studied by microwave spectroscopy and electron diffraction

I. Hargittai, Ragnhild Seip, K. P Rajappan Nair, Chester O. Britt, James E. Boggs, Bjørg N. Cyvin

Research output: Contribution to journalArticle

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Abstract

The molecular geometry of fluorosulphuric acid methyl ester is consistent with the structures of other simple sulphones as determined by microwave spectroscopy and electron diffraction. The results include ra(S=O) = 1.410 · 0.002, ra(S-F) = 1.545·0.006, ra(S-O) = 1.558·0.007 A, ∠F-S-O = 96.8·0.6, ∠F-S=O = 106.8·0.5, ∠O-S=O = 109.5 ± 0.6, ∠O=S=O = 124.4 · 0.7, and ∠S-O-C = 116 5·0.7. As regards the conformational properties, both microwave spectroscopy and electron diffraction revealed the presence of the anti form, while a gauche form could not be excluded.

Original languageEnglish
Pages (from-to)1-13
Number of pages13
JournalJournal of Molecular Structure
Volume39
Issue number1
DOIs
Publication statusPublished - 1977

Fingerprint

Microwave spectroscopy
Microwaves
Molecular Structure
Electron diffraction
Molecular structure
esters
Spectrum Analysis
Esters
molecular structure
electron diffraction
Electrons
microwaves
Sulfones
acids
Acids
sulfones
diffraction
spectroscopy
Geometry
geometry

ASJC Scopus subject areas

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

Cite this

On the molecular structure of fluorosulphuric acid methyl ester as studied by microwave spectroscopy and electron diffraction. / Hargittai, I.; Seip, Ragnhild; Nair, K. P Rajappan; Britt, Chester O.; Boggs, James E.; Cyvin, Bjørg N.

In: Journal of Molecular Structure, Vol. 39, No. 1, 1977, p. 1-13.

Research output: Contribution to journalArticle

Hargittai, I. ; Seip, Ragnhild ; Nair, K. P Rajappan ; Britt, Chester O. ; Boggs, James E. ; Cyvin, Bjørg N. / On the molecular structure of fluorosulphuric acid methyl ester as studied by microwave spectroscopy and electron diffraction. In: Journal of Molecular Structure. 1977 ; Vol. 39, No. 1. pp. 1-13.
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T1 - On the molecular structure of fluorosulphuric acid methyl ester as studied by microwave spectroscopy and electron diffraction

AU - Hargittai, I.

AU - Seip, Ragnhild

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AU - Britt, Chester O.

AU - Boggs, James E.

AU - Cyvin, Bjørg N.

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N2 - The molecular geometry of fluorosulphuric acid methyl ester is consistent with the structures of other simple sulphones as determined by microwave spectroscopy and electron diffraction. The results include ra(S=O) = 1.410 · 0.002, ra(S-F) = 1.545·0.006, ra(S-O) = 1.558·0.007 A, ∠F-S-O = 96.8·0.6, ∠F-S=O = 106.8·0.5, ∠O-S=O = 109.5 ± 0.6, ∠O=S=O = 124.4 · 0.7, and ∠S-O-C = 116 5·0.7. As regards the conformational properties, both microwave spectroscopy and electron diffraction revealed the presence of the anti form, while a gauche form could not be excluded.

AB - The molecular geometry of fluorosulphuric acid methyl ester is consistent with the structures of other simple sulphones as determined by microwave spectroscopy and electron diffraction. The results include ra(S=O) = 1.410 · 0.002, ra(S-F) = 1.545·0.006, ra(S-O) = 1.558·0.007 A, ∠F-S-O = 96.8·0.6, ∠F-S=O = 106.8·0.5, ∠O-S=O = 109.5 ± 0.6, ∠O=S=O = 124.4 · 0.7, and ∠S-O-C = 116 5·0.7. As regards the conformational properties, both microwave spectroscopy and electron diffraction revealed the presence of the anti form, while a gauche form could not be excluded.

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