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

作　　者：Mahjouba Ben Nasr Kamel Kaabi Matthias Zeller Wataru Fujita Pedro Sidónio Pereira da Silva Cherif Ben Nasr 

机构地区：[1]Laboratoire de Chimie des Materiaux, Universite de Carthage, Facultedes Sciences de Bizerte, 7021 Zarzouna, Tunisia [2]Department of Chemistry, Youngstown State University, One University Plaza, Youngstown, OH 44555-3663, USA [3]Graduate School of Natural Science, Nagoya City University, Yamanohata, Mizuho-cho, Mizuho-ku, Nagoya 467-8501, Japan [4]CFisUC Department of Physics, University of Coimbra, 3004-516 Coimbra, Portugal

出　　处：《Chinese Chemical Letters》2016年第6期896-900,共5页中国化学快报（英文版）

基　　金：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

摘　　要：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） , V = 1139.81（7） ~3 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 form layers 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/k B = -36 K.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） , V = 1139.81（7） ~3 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 form layers 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/k B = -36 K.

关 键 词：Square pyramid Cu（II） complex X-ray diffraction Magnetic properties Second harmonic generation 

分 类 号：O641.4[理学—物理化学]