The molecular structure and conformation of acetamides in the vapour phase. Part III. Thioacetamide (ethanethioamide)

M. Hargittai, S. Samdal, R. Seip

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

Thioacetamide has been studied by electron diffraction in the gas phase, utilizing a new nozzle construction and using a broad electron beam. The molecule has Cs symmetry, and one C-H bond eclipses the CS bond. The most important structural parameters are: rg(C-N) = 135.6(3) pm, rg(C-C) = 151.2(4) pm, rg(CS) = 164.7(3) pm,∠αCCS = 122.9(3)° and ∠αCCN = 114.8(4)°. Parenthesized values are one standard deviation where correlation among data and uncertainty in the electron wavelength have been included. The methyl barrier, V3, is found from the electron diffraction data to be 4.56 kJ mol-1. This corresponds to a torsional frequency of 131 cm-1.

Original languageEnglish
Pages (from-to)147-159
Number of pages13
JournalJournal of Molecular Structure
Volume71
Issue numberC
DOIs
Publication statusPublished - Feb 1981

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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