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Title: Crystal structure and spectroscopy of a hydrogen-bridged one-dimensional Cu(II) complex containing both octahedral and square pyramidal geometries in the same unit cell
Authors: Karunakaran C.
Thomas K.R.J.
Shunmugasundaram A.
Murugesan R.
Published in: Journal of Chemical Crystallography
Abstract: Single crystals of the helical hydrogen-bridged one-dimensional Cu(II) complex, [Cu(stpy)2 (CH3COO)2(H2O)2] (1) [Cu(stpy)2(CH3COO)2(H2O)] (2), are prepared and characterized by elemental and thermal analyses, IR, electronic and X-ray crystal structure determination. The crystals are monoclinic, of space group C2/c, with unit cell parameters a = 31.842(7) Ã…, b = 5.9829(10) Ã…, c = 30.970(14) Ã…, β = 111.78(3)°, Z = 4. The asymmetric unit contains two different types of Cu(II) polyhedra, namely, octahedron and square pyramid within the same unit cell. 1 has elongated octahedral geometry with two nitrogen atoms from stpy and two oxygen atoms from synmonodentate acetate ligands, transcoordinated to Cu(II) in the basal plane. The oxygen atoms of the two water molecules occupy the axial positions. 2 has Cu(II) coordination polyhedra similar to 1, except that only one of the apical positions is occupied by a water molecule. The structure consists of two independent linear chains, one involving octahedral (1) and the other involving square-pyramidal (2) polyhedra, held by hydrogen bridges. The Cu - Cu intra- and interchain separations in both 1 and 2 are 5.983 and 8.214 Ã…. The unit cell packing shows weak Ï€-stacking between adjacent coordinated stpy ligands in the chain, resulting in ladder-type structure. Further, the extended packing reveals helical arrangement of Cu(II) polyhedra in the lattice.
Citation: Journal of Chemical Crystallography (2000), 30(5): 351-357
Issue Date: 2000
Publisher: Kluwer Academic/Plenum Publishers
Keywords: Crystal structure
Helical hydrogen-bridged one-dimensional Cu(II) complex
IR and electronic spectroscopy
ISSN: 10741542
Author Scopus IDs: 7005623590
Author Affiliations: Karunakaran, C., Department of Chemistry, VHNSN College, Virudhunagar-626 001, Tamil Nadu, India
Thomas, K.R.J., Regl. Sophisticated Instrum. Centre, Indian Inst. of Technology-Madras, Chennai, Tamil Nadu, India
Shunmugasundaram, A., Department of Chemistry, VHNSN College, Virudhunagar-626 001, Tamil Nadu, India
Murugesan, R., School of Chemistry, Madurai Kamaraj University, Madurai-625 021, Tamil Nadu, India
Funding Details: CK thanks the University Grants Commission, India, for the financial support and the Managing Board of VHNSN College, Virudhunagar, Tamil Nadu, India, for providing the research facilities. Prof. S. Subramanian and Dr. Babu Varghese, RSIC, IIT-Madras, Chennai are acknowledged for fruitful discussions. We thank the UGC, India, for the financial assistance under DRS scheme.
Corresponding Author: Murugesan, R.; School of Chemistry, Madurai Kamaraj University, Madurai-625 021, Tamil Nadu, India; email:
Appears in Collections:Journal Publications [CY]

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