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Issue 47, 2016
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Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties

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Abstract

This paper presents the synthesis, X-ray studies, spectroscopic characterization and variable temperature magnetic investigations and DFT calculation of four novel thiocyanato Cu(II) compounds [Cu(mpz)2(NCS)2]n·nH2O (1), {[Cu2(dmpz)4(NCS)4][Cu(dmpz)(NCS)2]}n·2nMeOH (2) [(bdmpzm)CuII(SCN)21,3-SCN)CuI(bdmpzm)]n (3) and [Cu(bpzpy)(NCS)2] (4). Three of them (1, 2 and 3) display one-dimensional coordination structures while complex (4), incorporating a tridentate N-donor ligand, possesses a 0D molecular structure. Complex 3 belongs to a relatively rare group of mixed-valence CuII/CuI coordination polymers.

Graphical abstract: Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties

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Publication details

The article was received on 09 Aug 2016, accepted on 25 Oct 2016 and first published on 26 Oct 2016


Article type: Paper
DOI: 10.1039/C6CE01739H
Citation: CrystEngComm, 2016,18, 9042-9055
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    Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties

    A. Świtlicka, K. Czerwińska, B. Machura, M. Penkala, A. Bieńko, D. Bieńko and W. Zierkiewicz, CrystEngComm, 2016, 18, 9042
    DOI: 10.1039/C6CE01739H

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