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

Year 2019, , 966 - 979, 31.08.2019

Sema Çağlar , Serkan Demir

https://doi.org/10.18185/erzifbed.527155

Abstract

[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.

Keywords

Diklofenak, Palladyum, DFT, 3-Pikolin

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

Abstract

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.

Keywords

Diclofenac, Palladium, DFT, 3-picoline

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