Characterization of dinaphthosulfoxide molecule

ULUÇAM G., OKAN Ş. E., AKTAŞ Ş., Öʇretmen G. P.

Journal of Molecular Structure, cilt.1102, ss.146-152, 2015 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1102
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1016/j.molstruc.2015.08.051
  • Dergi Adı: Journal of Molecular Structure
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.146-152
  • Anahtar Kelimeler: 1,1′-sulfinylbis(naphthalen-2-ol), Density functional theory, Dinaphthosulfoxide, Molecular structure
  • Trakya Üniversitesi Adresli: Evet

Özet

Dinaphthosulfoxide has been synthesized, and confirmed by the experimental methods. The geometrical optimization of the two isomers of the molecule in their ground state was studied using density functional theory. Then, NMR and IR spectra were calculated for the optimized configurations. Analyzing the hydroxyl features in the NMR data and that of sulfoxide in IR spectra, the experimental observables are found to be in agreement with the properties of the syn isomer.