Structural Characterization and Spectroscopic Studies of (E)-2,4-di-tert-butyl-6-(((4-phenoxyphenyl)imino)methyl)phenol Compound

Yıl 2025, Cilt: 15 Sayı: 1, 159 - 171, 01.03.2025

Enis Güzel , Mustafa Macit , Didem Aytaçoğlu , Metin Yavuz

https://doi.org/10.21597/jist.1528674

Öz

Spectroscopic studies were carried out to determine the structural properties of the Schiff base C27H31NO2 compound. The studies carried out within this scope include X-ray diffraction, IR, Uv-Vis, 13C-NMR and 1H-NMR studies. The methods used in this study are the most effective methods used in determining structural characterization. It was determined that the compound whose characterization was completed was shaped in the enol-imine form. According to X-ray analysis, there are two molecules per unit cell. It was observed that there is an angle between the planes between the benzene rings of the investigated compound. In this context, it was determined that the structure was not planar. It is accepted in the literature that non-planar Schiff-based compounds mainly exhibit thermochromic properties. The interaction values of the atoms in the formation of the synthesized compound are important in terms of recognizing the compound structure and determining the dominant interaction pairs. In this context, the interaction percentages of the atoms in the compound were determined by the Hirshfeld surface analysis method. In addition, the molecular surface morphology was determined by using this program.

Anahtar Kelimeler

Crystallography, IR, NMR, Hirshfeld surface analysis

Proje Numarası

Bulunmamaktadır.

(E)-2,4-di-tert-bütil-6-(((4-fenoksifenil)imino)metil)fenol Bileşiğinin Yapısal Karakterizasyonu ve Spektroskopik Çalışmaları

Öz

Schiff bazlı C27H31NO2 bileşiğinin yapısal özelliklerinin belirlenmesi için spektroskopik çalışmalar yapılmıştır. Bu kapsamda yapılan çalışmalar; X-ışını çalışması, IR çalışması, Uv-Vis çalışması, 13C-NMR çalışması ve 1H-NMR çalışmasını içermektedir. Bu çalışmada kullanılan yöntemler, yapısal karakterizasyonun belirlenmesinde kullanılan en etkili yöntemlerdir. Karakterizasyonu tamamlanan bileşiğin enol-imin formunda şekillendiği belirlenmiştir. X-ışını analizine göre birim hücre başına iki molekül düşmektedir. İncelenen bileşiğin benzen halkaları arasındaki düzlemler arasında bir açı olduğu gözlemlenmiştir. Bu bağlamda yapının düzlemsel olmadığı belirlenmiştir. Düzlemsel olmayan Schiff bazlı bileşiklerin ağırlıklı olarak termokromik özellik gösterdiği literatür verileri doğrultusunda kabul edilen bir durumdur. Sentezlenen bileşiğin oluşumunda yer alan atomların birbirleri ile olan etkileşim değerleri, bileşik yapısını tanımak ve baskın olan etkileşim çiftlerini belirlemek açısından önemlidir. Bu kapsamda bileşikte yer alan atomların etkileşim yüzdeleri Hirshfeld yüzey analizi yöntemi ile belirlenmiştir. Ek olarak, moleküler yüzey morfolojiside bu programdan yararlanılarak belirlenmiştir.

Anahtar Kelimeler

Kristalografi, IR, NMR, Hisrhfeld Yüzey Analizi

Proje Numarası

Bulunmamaktadır.

Kaynakça

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