Vibrational spectroscopy of glutethimide - From isolated molecule to solid state

K. Bajdor, M. M. Glice, A. Leś, L. Adamowicz, R. Kołos

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

The IR and Raman spectra of glutethimide (3-ethyl-3-phenyl-2,6- piperidinedione) were obtained for both monomers and dimers in solution and matrix environment. The IR and Raman spectra were also obtained for the crystalline glutethimide. The spectral assignments were made based on quantum chemical theoretical calculations with the use of RHF and DFT methods and using isotopically labelled derivatives. The Raman spectra seem to be of limited use to study the intermolecular interactions of cyclic imides. The dominant species in diluted solutions of CCl4, CS2 and CHCl3 solutions were the glutethimide monomers. The dimer formation appeared at higher concentration about 0.2% in CCl4 and CS2 and 1% in CHCl3. In CH3CN solution no dimers were formed. The band corresponding to the v(N-H) stretching vibration was selected as a diagnostic band reflecting hydrogen bonding interactions of glutethimide with the solution, matrix and crystalline environment.

Original languageEnglish (US)
Pages (from-to)107-116
Number of pages10
JournalJournal of Molecular Structure
Volume511-512
DOIs
StatePublished - Nov 23 1999

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Keywords

  • DFT calculations
  • Dimers
  • Glutethimide
  • IR spectra
  • Imides
  • Monomers
  • RHF calculations
  • Raman spectra

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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