Cu(II), Cd(II) and Ni(II) azide complexes incorporating bis(3,5-dimethylpyrazol-1-yl)methane – Synthesis, spectroscopic characterisation, X-ray studies and magnetic properties

Three novel compounds [Cu2(μ1,1-N3)2(N3)2(bdmpzm)2] (1) [Cd(N3)2(bdmpzm)]n (2) and [Ni(N3)2(bdmpzm)2] (3) have been synthesised and characterised structurally and spectroscopically. The structure 1 consists of a neutral dinuclear [Cu2(μ1,1-N3)2(N3)2(bdmpzm)2] entities, compound 2 has one-dimensional zigzag chain structure extending along the crystallographic direction [1 0 0] with alternating di-μ1,1-N3 and di-μ1,3-N3 bridges, and 3 is a mononuclear complex. The experimental studies on the nickel(II) complex have been accompanied computationally by the density functional theory (DFT) calculations.

Three novel compounds [Cu2(μ1,1-N3)2(N3)2(bdmpzm)2] (1) [Cd(N3)2(bdmpzm)]n (2) and [Ni(N3)2(bdmpzm)2] (3) have been synthesised and characterised structurally and spectroscopically. The structure 1 consists of a neutral dinuclear [Cu2(μ1,1-N3)2(N3)2(bdmpzm)2] entities, compound 2 has one-dimensional zigzag chain structure extending along the crystallographic direction [1 0 0] with alternating di-μ1,1-N3 and di-μ1,3-N3 bridges, and 3 is a mononuclear complex. The experimental studies on the nickel(II) complex have been accompanied computationally by the density functional theory (DFT) calculations.Figure optionsDownload as PowerPoint slideHighlights
► Novel azide complexes of bis(3,5-dimethylpyrazol-1-yl)methane were characterized.
► The structure 1 consists of a dinuclear [Cu2(μ1,1-N3)2(N3)2(bdmpzm)2] entities.
► Complex 2 is a zigzag chain with alternating di-μ1,1-N3 and di-μ1,3-N3 bridges.
► The spectroscopic features of the Ni(II) complex were investigated by DFT/TD-DFT.
► Very weak antiferromagnetic interactions exists between Ni(II) centers.