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Issue 1, 2012
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CuII-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies

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Abstract

Four new neutral copper-azido polymers [Cu4(N3)8(Me-hmpz)2]n (1), [Cu4(N3)8(men)2]n (2), [Cu5(N3)10(N,N-dmen)2]n (3) and [Cu5(N3)10(N,N′-dmen)5]n (4) [Me-hmpz = 1-methylhomopiperazine; men = N-methylethylenediamine; N,N-dmen = N,N-dimethylethylenediamine and N,N′-dmen = N,N′-dimethylethylenediamine] have been synthesized by using various molar equivalents of the chelating diamine ligands with Cu(NO3)2·3H2O and an excess of NaN3. Single-crystal X-ray structures show that the basic asymmetric units of 1 and 2 are very similar, but the overall 1D structures were found to be quite different. Complex 3 with a different composition was found to be 2D in nature, while the 1D complex 4 with 1 : 1 metal to diamine ratio presented several new structural features. Cryomagnetic susceptibility measurements over a wide range of temperature were corroborated with density functional theory calculations (B3LYP functional) performed on the complexes 1–3 to provide a qualitative theoretical interpretation of their overall magnetic behavior.

Graphical abstract: CuII-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies

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Publication details

The article was received on 11 Jul 2011, accepted on 01 Sep 2011 and first published on 11 Oct 2011


Article type: Paper
DOI: 10.1039/C1DT11312G
Citation: Dalton Trans., 2012,41, 54-64
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    CuII-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies

    S. Mukherjee, Y. P. Patil and P. S. Mukherjee, Dalton Trans., 2012, 41, 54
    DOI: 10.1039/C1DT11312G

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