Synthesis, Crystal Structure, Physical Properties and Theoretical Calculations of a New One-Dimensional Ni(II) Coordination Polymer Constructed by 1,10-Phenanthroline Derivative Ligand and Sulfate

• Published in: Journal of inorganic and organometallic polymers and materials 2015-11, Vol.25 (6), p.1441-1447
• Main Authors: Kong, Zhi-Guo, Wang, Wei, Zhang, Si-Qi, Zhao, Fang-Wei, Wang, Xiu-Yan
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Inorganic Chemistry; Organic Chemistry; Polymer Sciences
• ISSN: 1574-1443; 1574-1451
• DOI: 10.1007/s10904-015-0257-7

A new Ni(II) coordination polymer constructed by 1,10-phenanthroline derivative 2-(2-chloro-6-fluorophenyl)-1 H -imidazo[4,5- f ][1, 10]phenanthroline (L) and inorganic sulfate anion, namely, [Ni(L)(SO 4 )(H 2 O) 2 ] n ( 1 ), has been successfully synthesized under hydrothermal condition. In compound 1 , each sulfate functions in bidentate bridging coordination mode and links two Ni(II) atoms to generate a one-dimensional chain structure. The adjacent chains are joined together by aromatic π – π interactions between L ligands to yield a two-dimensional supramolecular layer. The O–H···O and N–H···O hydrogen bonding interactions between sulfate oxygen atoms, coordination water molecules and nitrogen atoms of L ligands further stabilize the two-dimensional supramolecular architecture of 1 . Moreover, the magnetic property of 1 was investigated. In addition, natural bond orbital analysis was performed by the B3LYP/LANL2DZ method in Gaussian 09 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Ni(II) ion.