The in situ formation of a Cu(II) mesoionic complex via unexpected ring closure and investigation of its magnetic properties

• Published in: Journal of molecular structure Vol. 1156; pp. 30 - 33
• Main Authors: Zhao, Yanqing, Li, Lihong, Yan, Rui, Wu, Feng, Zhang, Jianan, Guo, Zhengyi, Wu, Yuandong
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.03.2018
• Subjects: Copper complex; Crystal structure; Mesoionic compound; Molecular magnetism; Mesoionic compound; Molecular magnetism; Copper complex; Crystal structure
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2017.11.053

The reaction of diphenylthiocarbazone, picolinic acid (HL1) with Cu(OAc)2·H2O under base condition yields a mesoionic complex [Cu(II)(L1)2(L2)]·MeOH, where L2, mesoionic ligand 2,3-diphenyltetrazole-5-thione ligand, derived from an unusual cyclization of diphenylthiocarbazone. Crystallographic studies show that the mesoionic ligand L2 is weakly interacted with a planar Cu(II) complex via S…Cu electrostatic force while S donor atom sits on the top of a pyramidal geometry of five-coordinated Cu complex. π-contacts between two adjacent mesoionic ligands L2 in the crystal are also observed. The complex is characterized by IR, UV/vis, Powder XRD, and SQuID magnetometry studies on magnetic property of the powder sample are also discussed. One pot synthesis of Cu(II) mesoionic complex. [Display omitted] •A mesoionic Cu(II) complex was prepared in situ.•X-ray single crystal data was reported.•Magnetic properties of the complex were investigated.•Spectroscopic measurement, IR and UV of the complex were studied.