INVESTIGATION OF (E)-4,5-DIMETHOXY-2-(((2- (TRIFLUOROMETHYL)PHENYL)IMINO)METHYL)PHENOL (C16H14F3NO3) 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, Turkey, 2 - 06 September 2024, pp.344, (Summary Text)

  • Publication Type: Conference Paper / Summary Text
  • City: Muğla
  • Country: Turkey
  • Page Numbers: pp.344
  • Ondokuz Mayıs University Affiliated: Yes

Abstract

In this study, a new synthesis product, (E)-4,5-dimethoxy-2-(((2-

(trifluoromethyl)phenyl)imino)methyl)phenol (C16H14F3NO3) 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.