Vibrational spectroscopic and force field studies of N,N-dimethylthioformamide, N,N-dimethylformamide, their deuterated analogues and bis(N,N-dimethylthioformamide)mercury(II) perchlorate

Christina M.V. Stalhandske, János Mink, Magnus Sandström, Imre Pápai, Patrik Johansson

Research output: Contribution to journalArticle

53 Citations (Scopus)

Abstract

Raman and infrared absorption spectra of N,N-dimethylthioformamide, N,N-dimethylthioformamide-d7, N,N-dimethylformamide, N,N-dimethylformamide-d7 and bis(N,N-dimethylthioformamide)mercury(II) perchlorate have been recorded and analyzed. Assignment of the bands has been made based on normal coordinate analysis, theoretical ab initio SCF and density functional calculations, and comparisons with similar molecules. The changes occurring in the vibrational spectra when N,N-dimethylthioformamide molecules coordinate to a metal ion are discussed.

Original languageEnglish
Pages (from-to)207-227
Number of pages21
JournalVibrational Spectroscopy
Volume14
Issue number2
DOIs
Publication statusPublished - May 1997

Keywords

  • Bis(N,N-dimethylthioformamide)mercury(II) perchlorate
  • N,N-dimethylformamide
  • N,N-dimethylthioformamide
  • Normal coordinate analysis
  • Vibrational spectra

ASJC Scopus subject areas

  • Spectroscopy

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