Citation: Mahjouba Ben Nasr, Kamel Kaabi, Matthias Zeller, Wataru Fujita, Pedro Sidónio Pereira da Silva, Cherif Ben Nasr. Synthesis, crystal structure, magnetic properties and second harmonic generation of a new noncentrosymmetric coordination compound: Triaqua(4-amino-6-methoxypyrimidine) cuprate(II)sulfate[J]. Chinese Chemical Letters, ;2016, 27(6): 896-900. doi: 10.1016/j.cclet.2016.02.024 shu

Synthesis, crystal structure, magnetic properties and second harmonic generation of a new noncentrosymmetric coordination compound: Triaqua(4-amino-6-methoxypyrimidine) cuprate(II)sulfate

a Laboratoire de Chimie des Matériaux, Universitéde Carthage, Facultédes Sciences de Bizerte, 7021 Zarzouna, Tunisia;
b Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555-3663, USA;
c Graduate School of Natural Science, Nagoya City University, Yamanohata, Mizuho-cho, Mizuho-ku, Nagoya 467-8501, Japan;
d CFisUC, Department of Physics, University of Coimbra, 3004-516 Coimbra, Portugal

Received Date: 6 September 2015
Revised Date: 12 January 2016

Fund Project: We would like to acknowledge the support provided by the Secretary of State for Scientific Research and Technology of Tunisia. The X-ray diffractometer was funded by NSF Grant 0087210, Ohio Board of Regents Grant CAP-491, and by Youngstown State University, USA.

The chemical preparation, crystal structure and infrared spectroscopic characterization of the triaqua(4-amino-6-methoxypyrimidine) cuprate(II) sulfate, [Cu(C₅H₇N₃)(H₂O)₃]SO₄, is reported. The compound crystallizes in the noncentrosymmetric orthorhombic space group P2₁2₁2₁ with lattice parameters a = 7.9025(3), b = 11.1189(4), c = 12.9720(4)Å, V = 1139.81(7)Å³ and Z = 4. The Cu(II) cation is fivecoordinated, in an early half-way between square pyramidal and trigonal bipyramidal fashion, by two nitrogen atoms of the 4-amino-6-methoxypyrimidine ligand and three water oxygen atoms. In the atomic arrangement, the organic ligands and the 5-connected Cu centers are linked with each other to give a 1-D corrugated hybrid chain running along the b-axis direction. The chains are interconnected by the SO₄^2- anions via O-H…O,O-H…S,C-H…O and N-H…O hydrogen bonds to formlayers spreading parallel to the (011) plane. The vibrational absorption bands were identified by infrared spectroscopy. Quantitative measurements of the second harmonic generation (SHG) of a powdered sample at 1064 nm were performed and a relative efficiency of 5.2 times the KDP standard was observed. Magnetic properties were also defined to characterize the complex. Magnetic measurements revealed that this material had a onedimensional antiferromagnetic character. The magnetic parameters were g = 2.11 and 2J/kB = -36 K.
- Square pyramid,
- Cu(II) complex,
- X-ray diffraction,
- Magnetic properties,
- Second harmonic generation
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