Linoleic acid and its potassium and sodium salts: A combined experimental and theoretical study

Gocen T., Bayari S. H., Guven M. H.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1150, ss.68-81, 2017 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1150
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1016/j.molstruc.2017.08.065
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.68-81
  • Anahtar Kelimeler: Linoleic acid, Sodium and potassium salts, DFT, FTIR, Raman, FATTY-ACIDS, ENERGY, FTIR, HARDNESS
  • Hacettepe Üniversitesi Adresli: Evet

Özet

Linoleic acid (cis, cis-9,12-octodecadienoic acid) is the main polyunsaturated -omega 6- essential fatty acid. The conformational behaviour of linoleic acid (LA) in the gas phase was investigated by means of density functional theory (DFT). The structures of conformers of LA were fully optimized by using the B3LYP/6-311++G(d,p) method. The theory showed that the tttttts'CssCs'tt conformation of LA (conformer I) is the more stable than the other conformations.