THEORETICAL INTERPRETATION OF INFRARED-SPECTRA OF N-CYCLOHEXYL-2-PYRROLIDONE IN MIXTURES OF HEXANE AND CDCL3

D LOOS*, A PERJESSY, JBFN ENGBERTS

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

4 Citations (Scopus)

Abstract

The infrared spectra of N-cyclohexyl-2-pyrrolidone (NCP) in binary mixtures of hexane and CDCl3 were interpreted theoretically in the region of C=O stretching vibrations using the AMI semiempirical method. The results were compared with those obtained for N,N-dimethylacetamide (DMA), cyclohexanone (CX) and propanone (PR). Good correlations were found between the carbonyl stretching frequencies and the theoretical parameters of free and solvated species in equilibria with hexane-CDCl3 solvent mixtures.

Original languageEnglish
Pages (from-to)293-299
Number of pages7
JournalMonatshefte fur chemie
Volume125
Issue number3
Publication statusPublished - Mar-1994

Keywords

  • N-CYCLOHEXYL-2-PYRROLIDONE
  • SOLVATION IN HEXANE-CDCL3 MIXTURE
  • AM1 INTERPRETATION OF INFRARED SPECTRA
  • WATER MIXTURES
  • MODEL

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