INVESTIGATION OF (E)-4,5-DIMETHOXY-2-(((2- (TRIFLUOROMETHYL)PHENYL)IMINO)METHYL)PHENOL (C16H14F3NO3) COMPOUND USING EXPERIMENTAL AND THEORETICAL METHODS (HARTREE FOCK (HF))

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Atıf İçin Kopyala

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.344

• Yayın Türü: Bildiri / Özet Bildiri
• Basıldığı Şehir: Muğla
• Basıldığı Ülke: Türkiye
• Sayfa Sayıları: ss.344
• Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

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.