The molecular structure and conformation of acetamides in the vapour phase: Part III. Thioacetamide (ethanethioamide) |
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Authors: | M Hargittai S Samdal R Seip |
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Institution: | Department of Chemistry, University of Oslo, Blindern, Oslo 3 Norway |
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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. |
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