Synthesis, characterization and crystal structure of a 1D thiocyanato bridged [Cu(en)2Zn(NCS)4]⋅H2O. Comparison of the three structures with the same [Cu(en)2Zn(NCS)4] unit − different in structural terms

• Published in: Journal of molecular structure Vol. 1083; pp. 374 - 380
• Main Authors: Wrzeszcz, Grzegorz, Muzioł, Tadeusz M., Tereba, Natalia
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.03.2015
• Subjects: Copper(II); Heterometallic complex; Magnetic measurements; Thiocyanato bridge; X-ray; Zinc(II); Heterometallic complex; Magnetic measurements; X-ray; Thiocyanato bridge; Zinc(II); Copper(II)
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2014.11.022

[Display omitted] •A new complex with known [Cu(en)2Zn(NCS)4] zigzag unit was synthesized.•The structure has been characterized by single crystal X-ray crystallography.•Structural similarities and differences of three related compounds are discussed.•Spectroscopic and magnetic properties are presented and discussed. In this paper we report the synthesis method and the structure of a one-dimensional thiocyanato bridged heterometallic compound, [Cu(en)2Zn(NCS)4]⋅H2O (1). Moreover, we compare the structure of (1) with the previously described structures of [Cu(en)2Zn(NCS)4]⋅0.5H2O (2) and [Cu(en)2Zn(NCS)4]⋅CH3CN (3) Pryma et al. (2003) [7]. The compound (1) has been characterized by thermal decomposition, IR, Vis and EPR spectra, and magnetic studies. Structure has been determined by X-ray analysis. Described coordination polymer crystallizes in the orthorhombic Cmcm space group with a=12.414(2), b=10.3276(14), c=14.967(2) Å, α=β=γ=90°, V=1918.8(5) Å3 and Z=4. Each distorted tetrahedral zinc(II) centre (with N-bonded NCS−) links two tetragonally distorted octahedral copper(II) centres by two end-to-end thiocyanato bridges and vice versa forming a zigzag type of CuZn chain. The structures of (1), (2) and (3) differ in crystallographic system, space group and/or CuZn chain type as well as in details. Variable temperature magnetic susceptibility measurements show very weak antiferromagnetic interactions between the paramagnetic copper(II) ions for compound (1).