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ISSN 1998-9539

Synthesis and Molecular Structure of the First Metallamacrocyclic Bi(III)-Cu(II) 15-MC-5 Complex Derived from Pyrazinohydroxamic Acid

G. S. Zabrodina,@ M. A. Katkova, E. V. Baranov, G. Yu. Zhigulin, and S. Yu. Ketkov

 

Dedicated to Professor Dieter Wöhrle on the ocassion of his 80th Birthday

 

G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 603905 Nizhny Novgorod, Russia

@Corresponding author E-mail: kudgs@mail.ru

 

Polynuclear metallamacrocyclic complexes named as metallacrowns are considered as a promising exceptional class of macroheterocyclic compounds that structurally resembles crown ethers. In this communication, we report a general synthetic approach and characterization of the first metallamacrocyclic Bi(III)-Cu(II) 15-MC-5 complex derived from pyrazinohydroxamic acid. The molecular and crystal structures of complex were determined from single-crystal X-ray diffraction studies. The single‐crystal structure reveals the classic metallamacrocyclic 15‐MC‐5 configuration. The Bi(III) ion is located at the center of the 15‐MC‐5 ring consisting of five [Cu(II)-N–O] repeat units.Detailed NBO and QTAIM studies based on DFT calculations were carried out for {Bi[15-MCCu(II)Pyzha-5]}3+ species. 

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