Experimental and theoretical vibrational study of bis(N,N-dimethylthiocarbamoylthio)acetic acid.
Harmonic vibrational analysis at HF/3-21G level is performed on the ab initio optimized molecular structure of bis(N,N-dimethylthiocarbamoylthio)acetic acid, and the outcome used in assigning the infrared spectrum of the acid. The calculated spectrum compares well with the experimental solid-state FT IR spectrum recorded at 298 and at 77 K.
Naumov
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Institute of Chemistry, Faculty of Sciences, Sv. Kiril i Metodij University, Skopje, Macedonia. spance@iunona.pmf.ukim.edu.mk
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D000085:Acetates / Q000737:chemistry*; D004125:Dimethyldithiocarbamate / Q000031:analogs & derivatives / Q000737:chemistry*; D015394:Molecular Structure; D010937:Plant Growth Regulators / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D014732:Vibration
D000085:Acetates; D004125:Dimethyldithiocarbamate; D010937:Plant Growth Regulators; C441231:bis(N,N-dimethylthiocarbamoylthio)acetic acid