Synthesis, Crystal Structure, and Theoretical Calculations of Two Cobalt, Nickel Coordination Polymers with 5-Nitroisophthalic Acid and Bis(imidazol) Ligands
Ya-Ru Pan A , Xiu-Mei Li A C , Jian-Ye Ji A and Qing-Wei Wang B
+ Author Affiliations
- Author Affiliations
A Faculty of Chemistry, Tonghua Normal University, Tonghua 134002, China.
B Key Laboratory of Preparation and Applications of Environmentally Friendly Materials, Ministry of Education, Jilin Normal University, Siping 136000, China.
C Corresponding author. Email: lixm20032006@163.com
Australian Journal of Chemistry 69(11) 1296-1304 https://doi.org/10.1071/CH16110
Submitted: 24 February 2016 Accepted: 9 May 2016 Published: 8 June 2016
Abstract
Two new complexes [Co(NIPH)(bimb)(H2O)]n (1) and [Ni(NIPH)(mbix)]n (2) (H2NIPH = 5-nitroisophthalic acid, bimb = 1,4-bis(imidazol-1-yl)butane, mbix = 1,3-bis(imidazol-1-ylmethyl)benzene) have been hydrothermally synthesised and structurally characterised by elemental analysis, IR spectroscopy, thermogravimetric analysis, UV spectroscopy, and single-crystal X-ray diffraction. Complex 1 exhibits a two-dimensional (2D) network, which was stabilised through O–H···O and C–H···O hydrogen-bonding interactions. Complex 2 shows a two-dimensional (2D) network structure, which was further extended into a three-dimensional supramolecular structure through C–H···O hydrogen bonds and π–π interactions. Moreover, we analysed the natural bond orbital (NBO) using the PBE0/LANL2DZ method in the Gaussian 03 program. The calculation results indicated the obvious covalent interactions between the coordinated atoms and the CoII or NiII ion.
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