An electron diffraction study of the 1,4-thioxane molecular geometry

György Schultz, I. Hargittai, László Hermann

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

The following parameters have been obtained for the 1,4-thioxane ring geometry by means of a gas electron diffraction study: S-C 1.826 ± 0.004 Å, C-C 1.521 ± 0.006 Å, O-C 1.418 ± 0.004 Å, C-S-C 97.1 ± 2.0°, C-C-S 111.4 ± 1.0°, C-C-0 113.2 ± 1.7° and C-O-C 115.1 ± 2.2°. The molecule takes a chair conformation. The ring geometry is consistent with an average puckering angle of 58.3°.

Original languageEnglish
Pages (from-to)353-361
Number of pages9
JournalJournal of Molecular Structure
Volume14
Issue number3
DOIs
Publication statusPublished - 1972

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Electron diffraction
electron diffraction
Gases
Electrons
Geometry
rings
geometry
seats
Conformations
Molecules
gases
molecules
1,4-thioxane

ASJC Scopus subject areas

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

Cite this

An electron diffraction study of the 1,4-thioxane molecular geometry. / Schultz, György; Hargittai, I.; Hermann, László.

In: Journal of Molecular Structure, Vol. 14, No. 3, 1972, p. 353-361.

Research output: Contribution to journalArticle

Schultz, György ; Hargittai, I. ; Hermann, László. / An electron diffraction study of the 1,4-thioxane molecular geometry. In: Journal of Molecular Structure. 1972 ; Vol. 14, No. 3. pp. 353-361.
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