Synthesis and X-ray structural characterization of sterically hindered bis(3,5-di-tert-butylsalicylaldiminato)Cu(II) complexes

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• 作者：Jahir Uddin Ahmad ; Minna T. Rä ; isä ; nen ; Martin Nieger ; Markku R. Sundberg ; Pawel J. Figiel ; Markku Leskelä ; Timo Repo ; ^{timo.repo@helsinki.fi}
• 关键词：Schiff base ; Cu(II) complex ; Salicylaldimine ; Crystal structure ; cis&ndash ; trans Isomer
• 刊名：Polyhedron
• 出版年：2012
• 期刊代码：87_02775387
• 类别：ch
• 出版时间：11 May, 2012
• 卷：38
• 期：1
• 页码：205-212
• 文件大小：594 K

摘要

Bis(3,5-di-tert-butylsalicylaldiminato)Cu(II) complexes were prepared in high yields from a sterically hindered 3,5-di-tert-butylsalicylaldehyde and a variety of amines using three synthetic approaches. They were all thoroughly characterized by various spectroscopic methods (UV-Vis, IR, EPR and EI-MS). Crystal structures of seven complexes determined by X-ray crystallography show the Cu ion in a N₂O₂ coordination environment and a tetrahedrally distorted square-planar geometry. The UV-Vis and EPR results indicated that the complexes have the same geometry also in solution. In two solid state structures of the complexes the ligands have obtained an unusual cis-orientation whereas the rest of the complexes are trans-isomers. Computational studies carried out by the density functional theory method verified that in the case of complex with N-alkyl fragment the preferred isomer is trans, while the opposite behavior is observed for the complex with N-phenyl substituent.