INVESTIGATION OF (E)-2(((4-BROMO-2- (TRIFLUOROMETHYL)PHENYIMINO)METHYL)-5- METHOXYPHENOL (C15H11BRF3NO2) COMPOUND USING EXPERIMENTAL AND THEORETICAL METHODS (HARTREE FOCK (HF))

Kalkan S., Ağar E., Yeşilbağ S., Demircioğlu Z., Güzel E., Yavuz M.

TURKISH PHYSICAL SOCIETY 40th INTERNATIONAL PHYSICS CONGRESS, Muğla, Türkiye, 2 - 06 Eylül 2024, ss.343

  • Yayın Türü: Bildiri / Özet Bildiri
  • Basıldığı Şehir: Muğla
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.343
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In this study, a new synthesis product, (E)-2-(((4-bromo-2-

(trifluoromethyl)pheny)imino)methy)-5-methoxyphenol (C15H11BrF3NO2) compound,

was produced as a result of chemical processes. The examined compound is a Schiff-base

compound. As a result of X-ray diffraction, the compound was shaped in the enol-imine

form due to the O-H…N bond structure. Theoretical calculations were calculated in the

6-311g(d,p) basis set using the Hartree-Fock (HF) method. Mulliken Population Analysis,

one of the theoretical programming, was performed. Additionally, HOMO-LUMO studies

and Fukui function analyzes were performed.