Journal of Cluster Science

, Volume 29, Issue 6, pp 1275–1283 | Cite as

Synthesis, Crystal Structure and Theoretical Calculations of Two Zn (II) Coordination Polymers Based on 2,5-Dihydroxyterephthalic Acid

  • Han-Yang Sun
  • Xue Li
  • Zi-Run Wang
  • Shi-qing Sun
  • Chuan-Bi LiEmail author
  • Jia-Jun WangEmail author
Original Paper


Two new coordination polymers, namely [Zn2(phen)2(DHTA)]·2H2O (1) and [Zn2(PHDI)2(DHTA)]·2H2O (2) (phen = 1,10-Phenanthroline, PHDI = 1,10-Phenanthroline-5,6- dione, DHTA = 2,5-dihydroxyterephthalic acid) have been synthesized under hydrothermal conditions. The structures have been determined by single crystal X-ray diffraction, thermal gravimetric analysis, infrared spectrum and luminescent properties. The X-ray diffraction analysis revealed the coordination modes of Zn(II) centers from complexes (1) and (2) are different. In (1), there are unusual five coordinated and six coordinated Zn(II) ions. In (2), the center is four coordinated Zn (II). Through these coordination modes of Zn centers and the π–π stacking interactions of organic ligands, the two complexes are all connected to three-dimensional supramolecular networks. The solid-state photoluminescence properties of (1) and (2) have been investigated. The emission peaks are located at 538 and 603 nm, the emissions may be attributed to the metal-to-ligand charge-transfer. The quantum-chemical calculations have been performed on ‘molecular fragments’ extracted from the crystal structure using the B3LYP method in Gaussian 09.


Hydrothermal synthesis Crystal structure Coordination polymer Theoretical calculations Luminescent property 



This study was supported by Jilin province Science and Technology Development Plan item (No. 20140204080GX). This study was supported by Education Department of Jilin Province, China (No. JJKH20180777KJ) and the Science and Technology Development Projects of Siping City (No. 2017057).

Supplementary material

10876_2018_1444_MOESM1_ESM.docx (879 kb)
Supplementary material 1 (DOCX 879 kb)


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© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University) Ministry of EducationChangchunPeople’s Republic of China
  2. 2.Department of Arts and ScienceJilin Agricultural Science and Technology UniversityJilinPeople’s Republic of China

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