Experimental and theoretical vibrational study of bis(N, N-dimethylthiocarbamoylthio)acetic acid

Pance Naumov, Seik Weng Ng

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Article number3047
Pages (from-to)1289-1294
Number of pages6
JournalSpectrochimica Acta - Part A Molecular and Biomolecular Spectroscopy
Volume57
Issue number6
DOIs
StatePublished - Jan 1 2001

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acetic acid
Acetic acid
Molecular structure
Infrared radiation
Acids
molecular structure
infrared spectra
solid state
harmonics
acids
bis(N,N-dimethylthiocarbamoylthio)acetic acid

Keywords

  • Ab initio
  • Acetic acids
  • FT IR spectra
  • Thiocarbamoylthioacetic acids

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

Experimental and theoretical vibrational study of bis(N, N-dimethylthiocarbamoylthio)acetic acid. / Naumov, Pance; Ng, Seik Weng.

In: Spectrochimica Acta - Part A Molecular and Biomolecular Spectroscopy, Vol. 57, No. 6, 3047, 01.01.2001, p. 1289-1294.

Research output: Contribution to journalArticle

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