Journals / Hacettepe Journal of Biology and Chemistry / 2017 / Cilt: 45 - Sayı: 1

A Crystallographic, EPR and DFT Investigations of a Novel Magnetically Silent Mono-atom Acetate-Bridged Binuclear Schiff Base-Copper(II) Complex

Yeni Bir Manyetik Tek-atom Asetat Köprülü Schiff Bazı -Bakır(II) Kompleksinin Kristallografik, EPR ve DFT ile İncelenmesi

Pages
1–9
Publication Date
2022-10-17
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The existence of a trivial ferromagnetic exchange which is quantitatively ignorable has been suggested by DFT-Broken Symmetry calculations performed at crystallographically characterized experimental geometry.

📌 3 Key Takeaways

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Objective & Hypothesis:A recent example of one-atom acetate bridged symmetric dinuclear copper(II) complexes, Di-µ-acetato-bis{1- ((pyridin-2-ylmethylimino)methyl)naphthoxo}copper(II) ([Cu2(NP)2(Ac)2]•2MetOH(1)) (HNP=1-((pyridin-2- ylmethylimino)methyl)naphthol)) have been prepared and characterized by X-ray crystallography, Elemental analyses, ESI-mass, UV-Vis and IR spectroscopic techniques.
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Key Findings & Data:Magnetic properties of the complex have been probed by EPR measurements and the presence of spin-only paramagnetism of the compound with none of significant exchange coupling has been demonstrated unlike ferro or antiferromagnetism that was otherwise observed in all other analogous structures previously reported.
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Conclusion & Impact:The existence of a trivial ferromagnetic exchange which is quantitatively ignorable has been suggested by DFT-Broken Symmetry calculations performed at crystallographically characterized experimental geometry.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

A recent example of one-atom acetate bridged symmetric dinuclear copper(II) complexes, Di-µ-acetato-bis{1- ((pyridin-2-ylmethylimino)methyl)naphthoxo}copper(II) ([Cu2(NP)2(Ac)2]•2MetOH(1)) (HNP=1-((pyridin-2- ylmethylimino)methyl)naphthol)) have been prepared and characterized by X-ray crystallography, Elemental analyses, ESI-mass, UV-Vis and IR spectroscopic techniques. Magnetic properties of the complex have been probed by EPR measurements and the presence of spin-only paramagnetism of the compound with none of significant exchange coupling has been demonstrated unlike ferro or antiferromagnetism that was otherwise observed in all other analogous structures previously reported. The existence of a trivial ferromagnetic exchange which is quantitatively ignorable has been suggested by DFT-Broken Symmetry calculations performed at crystallographically characterized experimental geometry.

Özet

Tek-atom asetat köprülü simetrik dinükleer-bakır(II) komplekslerine yeni bir örnek olarak Di-µ-asetato-bis{1- ((piridin-2-ilmetilimino)metil)naftokso}bakır(II) ([Cu2(NP)2(Ac)2]•2MetOH(1)) (HNP=1-((piridin-2-ilmetilimino) metil)naftol)) kompleksi sentezlendi ve X-ışını kristallografisi, elementel analiz, ESI-kütle, UV-Vis ve IR spektroskopik tekniklerle karakterize edildi. Kompleksin manyetik özellikleri EPR spektroskopisi tekniği ile incelendi ve daha önce çalışılmış diğer tüm benzer yapılarda görülen ferroya da antiferromanyetizmden farklı olarak sadece spine bağlı paramanyetizmin varlığı, önemli bir manyetik değiş-tokuşun gözlenmemesine bağlı olarak belirlendi. Büyüklük olarak önemsenmeyecek derecede küçük olan ferromanyetik etkileşimin varlığı ise kristal geometride gerçekleştirilen DFT-kırılmış simetri hesaplamaları ile belirlendi.

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Cite This Article

DEMİR, S., TEMEL, E., ÖZTÜRK, M., YERLİ, Y., SARAL, H., BAŞGEL, S. (2022). A Crystallographic, EPR and DFT Investigations of a Novel Magnetically Silent Mono-atom Acetate-Bridged Binuclear Schiff Base-Copper(II) Complex. Hacettepe Journal of Biology and Chemistry, Cilt: 45 - Sayı: 1, 1–9. https://ajindex.com/articles/529116

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