TY  - JOUR
T1  - A New Palladium(II) Complex With 3-Picoline and Diclofenac: Synthesis, Crystal, Spectroscopic, Thermal and DFT Studies
TT  - 3-Pikolin ve Diklofenak İçeren Yeni Diklofenak Kompleksinin Sentezi, Kristal, Spektroskopik, Termik ve DFT Çalışmaları
AU  - Çağlar, Sema
AU  - Demir, Serkan
PY  - 2019
DA  - August
DO  - 10.18185/erzifbed.527155
JF  - Erzincan University Journal of Science and Technology
PB  - Erzincan Binali Yildirim University
WT  - DergiPark
SN  - 2149-4584
SP  - 966
EP  - 979
VL  - 12
IS  - 2
LA  - en
AB  - A novelpalladium(II) complex with 3-picoline and diclofenac ligands was synthesizedusing [PdCl2(3-pic)2] as the precursor. The synthesized complex ischaracterized by elemental and thermal and spectroscopic methods. Single X-Rayanalysis confirms that the complex has square plane geometry and the compoundof formula is [Pd(dicl)2(3-pic)2]. Electronic propertiesof the complex have been probed by natural bond orbital (NBO) populationanalyses. Furthermore, relative stabilities of the complexes have been alsocompared in theoretical insight based on DFT computations since complex [PdCl2(3-pic)2]is the precursor of [Pd(dicl)2(3-pic)2]. Thermal analysisshows that the complex is stable up to 200 oC.
KW  - Diclofenac
KW  - Palladium
KW  - DFT
KW  - 3-picoline
N2  - [PdCl2(3-pic)2] kompleksikullanılarak, 3-pikolin ve diklofenak ligandları içeren yeni bir palladyum(II)kompleksi sentezlendi. Sentezlenen kompleks, elementel, termik ve spektroskopikyöntemler ile karakterize edildi. X-Işını tek kristal analizi, kompleksin karedüzlem geometriye sahip olduğunu ve bileşiğinin formülünün [Pd(dicl)2(3-pic)2] olduğunu doğrulamaktadır.Kompleksin elektronik özellikleri, doğal bağ orbital (NBO) popülasyonanaliziyle araştırılmıştır. Ayrıca, [Pd(dicl)2(3-pic)2]kompleksi, [PdCl2(3-pic)2] kompleksindensentezlendiğinden ötürü; komplekslerin bağıl kararlılıkları, DFT hesaplamalarındaelde edilen teorik bulgularla karşılaştırılmıştır. Termik analiz tekniği,kompleksin 200 oC'ye kadar kararlı olduğunu göstermektedir.
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UR  - https://doi.org/10.18185/erzifbed.527155
L1  - https://dergipark.org.tr/en/download/article-file/797557
ER  -