3-Pikolin ve Diklofenak İçeren Yeni Diklofenak Kompleksinin Sentezi, Kristal, Spektroskopik, Termik ve DFT Çalışmaları

Öz

[PdCl₂(3-pic)₂] kompleksi kullanılarak, 3-pikolin ve diklofenak ligandları içeren yeni bir palladyum(II) kompleksi sentezlendi. Sentezlenen kompleks, elementel, termik ve spektroskopik yöntemler ile karakterize edildi. X-Işını tek kristal analizi, kompleksin kare düzlem geometriye sahip olduğunu ve bileşiğinin formülünün [Pd(dicl)₂(3-pic)₂] olduğunu doğrulamaktadır. Kompleksin elektronik özellikleri, doğal bağ orbital (NBO) popülasyon analiziyle araştırılmıştır. Ayrıca, [Pd(dicl)₂(3-pic)₂] kompleksi, [PdCl₂(3-pic)₂] kompleksinden sentezlendiğinden ötürü; komplekslerin bağıl kararlılıkları, DFT hesaplamalarında elde edilen teorik bulgularla karşılaştırılmıştır. Termik analiz tekniği, kompleksin 200 ^oC'ye kadar kararlı olduğunu göstermektedir.

Anahtar Kelimeler

• Diklofenak
• Palladyum
• DFT
• 3-Pikolin

A New Palladium(II) Complex With 3-Picoline and Diclofenac: Synthesis, Crystal, Spectroscopic, Thermal and DFT Studies

Öz

A novel palladium(II) complex with 3-picoline and diclofenac ligands was synthesized using [PdCl₂(3-pic)₂] as the precursor. The synthesized complex is characterized by elemental and thermal and spectroscopic methods. Single X-Ray analysis confirms that the complex has square plane geometry and the compound of formula is [Pd(dicl)₂(3-pic)₂]. Electronic properties of the complex have been probed by natural bond orbital (NBO) population analyses. Furthermore, relative stabilities of the complexes have been also compared in theoretical insight based on DFT computations since complex [PdCl₂(3-pic)₂] is the precursor of [Pd(dicl)₂(3-pic)₂]. Thermal analysis shows that the complex is stable up to 200 ^oC.

Anahtar Kelimeler

• Diclofenac
• Palladium
• DFT
• 3-picoline

Kaynakça

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