The Molecular Geometry of Trichloromethyl Sulphonyl Chloride as Studied by Electron Diffraction. Estimation of the Barrier to Internal Rotation

Jon Brunvoll, I. Hargittai, Ragnhild Seip

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The molecular geometry of trichloromethyl sulphonyl chloride has been determined by electron diffraction. The sulphur bond configuration [rg (S = O) 1.421 ± 0.003 Å, rg (S—Cl) 2.021 ±0.005 Å, rg(S—C) 1.87±0.03Å, ∠O=S—C 108.3±0.7°, ∠C—S—Cl 97.9±0.8°, ∠O=S=O 121.5±0.9° and ∠ O=S—Cl 109.2 ± 0.6°] is consistent with the characteristic structural variations observed in the sulphone series. The barrier to internal rotation around the S—C bond was estimated to be between 3.5 and 6 kcal mol−1 by means of various procedures and assumptions.

Original languageEnglish
Pages (from-to)222-224
Number of pages3
JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume33
Issue number2
DOIs
Publication statusPublished - Feb 1 1978

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Sulfones
sulfones
Sulfur
Electron diffraction
Diffraction
Chlorides
sulfur
electron diffraction
chlorides
Electron
Internal
Configuration
Series
Geometry
geometry
configurations

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Mathematical Physics
  • Physics and Astronomy(all)

Cite this

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title = "The Molecular Geometry of Trichloromethyl Sulphonyl Chloride as Studied by Electron Diffraction. Estimation of the Barrier to Internal Rotation",
abstract = "The molecular geometry of trichloromethyl sulphonyl chloride has been determined by electron diffraction. The sulphur bond configuration [rg (S = O) 1.421 ± 0.003 {\AA}, rg (S—Cl) 2.021 ±0.005 {\AA}, rg(S—C) 1.87±0.03{\AA}, ∠O=S—C 108.3±0.7°, ∠C—S—Cl 97.9±0.8°, ∠O=S=O 121.5±0.9° and ∠ O=S—Cl 109.2 ± 0.6°] is consistent with the characteristic structural variations observed in the sulphone series. The barrier to internal rotation around the S—C bond was estimated to be between 3.5 and 6 kcal mol−1 by means of various procedures and assumptions.",
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N2 - The molecular geometry of trichloromethyl sulphonyl chloride has been determined by electron diffraction. The sulphur bond configuration [rg (S = O) 1.421 ± 0.003 Å, rg (S—Cl) 2.021 ±0.005 Å, rg(S—C) 1.87±0.03Å, ∠O=S—C 108.3±0.7°, ∠C—S—Cl 97.9±0.8°, ∠O=S=O 121.5±0.9° and ∠ O=S—Cl 109.2 ± 0.6°] is consistent with the characteristic structural variations observed in the sulphone series. The barrier to internal rotation around the S—C bond was estimated to be between 3.5 and 6 kcal mol−1 by means of various procedures and assumptions.

AB - The molecular geometry of trichloromethyl sulphonyl chloride has been determined by electron diffraction. The sulphur bond configuration [rg (S = O) 1.421 ± 0.003 Å, rg (S—Cl) 2.021 ±0.005 Å, rg(S—C) 1.87±0.03Å, ∠O=S—C 108.3±0.7°, ∠C—S—Cl 97.9±0.8°, ∠O=S=O 121.5±0.9° and ∠ O=S—Cl 109.2 ± 0.6°] is consistent with the characteristic structural variations observed in the sulphone series. The barrier to internal rotation around the S—C bond was estimated to be between 3.5 and 6 kcal mol−1 by means of various procedures and assumptions.

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