Title: Theoretical, structural, vibrational, NMR, and thermal evidence of the inter- versus intramolecular hydrogen bonding in oxamides and thiooxamides
Authors: Desseyn, HO ×
Perlepes, SP
Clou, K
Blaton, Norbert
Van der Veken, BJ
Dommisse, R
Hansen, PE #
Issue Date: Jun-2004
Publisher: Amer chemical soc
Series Title: Journal of Physical Chemistry A vol:108 issue:24 pages:5175-5182
Abstract: This contribution describes the study of hydrogen bonding in secondary oxamides, monothiooxamides, and dithiooxamides by ab initio calculations, X-ray diffractions, NMR spectra, thermal analysis, and variable-temperature infrared and Raman spectroscopy. The results can all be interpreted as a function of the change in the strength and the nature of the hydrogen bonding by substituting oxygen for sulfur in the series CH3-HNCOCONHCH3, CH3HNCSCONHCH3, CH3HNCSCSNHCH3 and by changing the steric influence of the alkyl group in a series of oxamides (RHNCOCNHR; R = CH3, C2H5, iC(3)H(7), tC(4)H(9)).
ISSN: 1089-5639
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biocrystallography
× corresponding author
# (joint) last author

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