Related Experiment Videos
Experimental and theoretical vibrational study of bis(N,N-dimethylthiocarbamoylthio)acetic acid
1Institute of Chemistry, Faculty of Sciences, Sv. Kiril i Metodij University, Skopje, Macedonia. spance@iunona.pmf.ukim.edu.mk
Abstract:
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.