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

Abstract

Arecent 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.

Keywords

• Mono-atom bridged copper II complex,Broken-symmetry approach,Schiff base-Copper II complex,EPR,DFT

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

Abstract

T ek-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 ferro- ya 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

Keywords

• Tek-atom köprülü bakır II kompleksi,Kırılmış-simetri yaklaşımı,Schiff bazı-bakır II kompleksi,EPR,DFT

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