Structural and spectroscopic characterisation of 2-(2'-hydroxybenzoyl)pyrrole and its O-methyl derivative

Maurizio Ciofalo, Gianfranco La Manna

Risultato della ricerca: Article

2 Citazioni (Scopus)

Abstract

Density functional theory calculations on the tautomeric and conformational equilibria of 2-(2''-hydroxybenzoyl)pyrrole (HBP) and 2-(2''- methoxybenzoyl)pyrrole (MBP) were performed. Moreover, the experimental IR and UV spectra of the same compounds were recorded and compared with the theoretical data. The presence of an intramolecular hydrogen bond in HBP can be related to the biological activities of some of its derivatives.
Lingua originaleEnglish
pagine (da-a)183-186
Numero di pagine4
RivistaJOURNAL OF MOLECULAR STRUCTURE. THEOCHEM
Volume709
Stato di pubblicazionePublished - 2004

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All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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