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

Panče 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 - 2001

Keywords

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

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Experimental and theoretical vibrational study of bis(N, N-dimethylthiocarbamoylthio)acetic acid'. Together they form a unique fingerprint.

  • Cite this