Abstract
A new Zn(II) coordination polymer based on 4,4′-oxydibenzoic acid (H2oba) and 1,3-bis(imidazol-1-ylmethyl)benzene (mbix), namely, [Zn2(oba)2(mbix)2]n·4nH2O (1), has been successfully synthesized under hydrothermal conditions. Its structure has been characterized by single crystal X-ray diffraction analysis, elemental analyses, IR, TG and fluorescence spectrum. Compound 1 shows a two-dimensional (2D) network structure. The intermolecular C–H···O, O–H···O hydrogen bonding and π–π stacking interactions extend the compound 1 into 3D supramolecular architectures and play an important role in stabilizing compound 1. In addition, natural bond orbital (NBO) analysis was performed by using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results showed the obvious covalent interaction between the coordinated atoms and Zn(II) ion.
Graphical Abstract
A new Zn(II) coordination polymer based on 4,4′-oxydibenzoic acid (H2oba) and 1,3-bis(imidazol-1-ylmethyl)benzene (mbix), namely, [Zn2(oba)2(mbix)2]n·4nH2O (1), has been successfully synthesized under hydrothermal conditions. Its structure has been determined by single crystal X-ray diffraction analysis, elemental analyses, IR, TG and fluorescence spectrum. Compound 1 shows a two-dimensional (2D) network structure. The intermolecular C–H···O, O–H···O hydrogen bonding and π–π stacking interactions extend the compound 1 into 3D supramolecular architectures and play an important role in stabilizing compound 1. In addition, natural bond orbital (NBO) analysis was performed by using the PBE0/LANL2DZ method built in Gaussian 03 Program. The calculation results showed the obvious covalent interaction between the coordinated atoms and Zn(II) ion.
Similar content being viewed by others
References
P.J. Hagrman, D. Hagrman, J. Zubieta, Angew. Chem. Int. Ed. 38, 2638 (1999)
A.J. Blake, N.R. Champness, P. Hubberstey, W.S. Li, M.A. Withersby, M. Schroder, Coord. Chem. Rev. 183, 117 (1999)
B. Moulton, M.J. Zaworotko, Chem. Rev. 101, 1629 (2001)
C.N.R. Rao, S. Natarajan, R. Vaidhyanathan, Angew. Chem. Int. Ed. 43, 466 (2004)
S. Kitagawa, R. Kitaura, S.I. Noro, Angew. Chem. Int. Ed. 43, 2334 (2004)
B.L. Chen, N.W. Ockwig, F.R. Fronczek, D.S. Contreras, O.M. Yaghi, Inorg. Chem. 44, 181 (2005)
S. Yang, X. Lin, A.J. Blake, K.M. Thomas, P. Hubberstey, N.R. Champness, M. Schröder, Chem. Commun. 44, 6108 (2008)
H.S. Choi, M.P. Suh, Angew. Chem. Int. Ed. 48, 6865 (2009)
B.L. Chen, N.W. Ockwig, A.R. Millward, D.S. Contreras, O.M. Yaghi, Angew. Chem. Int. Ed. 44, 4745 (2005)
J.L. Liu, W.Q. Lin, Y.C. Chen, J.D. Leng, F.S. Guo, M.L. Tong, Inorg. Chem. 52, 457 (2013)
P.H. Guo, J.L. Liu, Z.M. Zhang, L. Ungur, L.F. Chibotaru, J.D. Leng, F.S. Guo, M.L. Tong, Inorg. Chem. 51, 1233 (2012)
X. Bao, P.H. Guo, W. Liu, J. Tucek, W.X. Zhang, J.D. Leng, X.M. Chen, I. Gural’skiy, L. Salmon, A. Bousseksou, M.L. Tong, Chem. Sci. 3, 1629 (2012)
X.L. Zhao, D. Sun, S. Yuan, S.Y. Feng, R. Cao, D.Q. Yuan, S.N. Wang, J.M. Dou, D.F. Sun, Inorg. Chem. 51, 10350 (2012)
S.N. Wang, Y.Q. Peng, X.L. Wei, Q.F. Zhang, D.Q. Wang, J.M. Dou, D.C. Li, J.F. Bai, CrystEngComm 13, 5313 (2011)
L.M. Fan, X.T. Zhang, D.C. Li, D. Sun, W. Zhang, J.M. Dou, CrystEngComm 15, 349 (2013)
C.X. Chen, Q.K. Liu, J.P. Ma, Y.B. Dong, J. Mater. Chem. 22, 9027 (2012)
T. Liu, S. Wang, J. Lu, J. Dou, M. Niu, D. Li, J. Bai, CrystEngComm 15, 5476 (2013)
D. Sun, Y.H. Li, H.J. Hao, F.J. Liu, Y.M. Wen, R.B. Huang, L.S. Zheng, Cryst. Growth Des. 11, 3323 (2011)
X.J. Li, F.L. Jiang, M.Y. Wu, S.Q. Zhang, Y.F. Zhou, M.C. Hong, Inorg. Chem. 51, 4116 (2012)
R. Feng, L. Chen, Q.H. Chen, X.C. Shan, Y.L. Gai, F.L. Jiang, M.C. Hong, Cryst. Growth Des. 11, 1705 (2011)
D.S. Li, P. Zhang, J. Zhao, Z.F. Fang, MDuK Zou, Y.Q. Mu, Cryst. Growth Des. 12, 1697 (2012)
M. Suh, Y. Cheon, E. Lee, Coord. Chem. Rev. 252, 1007 (2008)
Y.J. Cui, Y.F. Yue, G.D. Qian, B.L. Chen, Chem. Rev. 112, 1126 (2012)
C.G. Silva, A. Corma, H. Garcia, J. Mater. Chem. 20, 3141 (2010)
A. Thirumurugan, S. Natarajan, J. Mater. Chem. 15, 4588 (2005)
L.B. Sun, Y. Li, Z.Q. Liang, J.H. Yu, R.R. Xu, Dalton Trans. 41, 12790 (2012)
G. Liu, H. Li, CrystEngComm 15, 6870 (2013)
J.J. Wang, T.T. Wang, L. Tang, X.Y. Hou, L.J. Gao, F. Fu, M.L. Zhang, J. Coord. Chem. 66, 3979 (2013)
X.M. Li, Y.L. Niu, Chem. Res. Appl. 18, 1071 (2006)
X.M. Li, Y.H. Dong, Q.W. Wang, Y.C. Cui, B. Liu, Chin. J. Struct. Chem. 26, 1495 (2007)
Y.Q. Lan, S.L. Li, X.M. Wu, Y.M. Fu, Y.H. Xu, L. Li, Z.M. Su, Q. Fu, Dalton Trans. 48, 6796 (2008)
H.J. Lun, Y.M. Li, X.D. Zhang, J.H. Yang, C.Y. Xiao, Y.Q. Xu, J.R. Li, J. Solid State Chem. 215, 277 (2014)
X.M. Li, J.Y. Ji, Y.L. Niu, Z.T. Wang, Chin. J. Struct. Chem. 29, 165 (2013)
P.Y. Zhan, J.Y. Ji, Y.L. Niu, Z.T. Wang, X.M. Li, Chin. J. Struct. Chem. 29, 424 (2013)
X.M. Li, J.Y. Ji, Y.L. Niu, Q.W. Wang, Z.T. Wang, Chin. J. Struct. Chem. 29, 1302 (2013)
Z.T. Wang, J.Y. Ji, X.M. Li, Y.L. Niu, Q.W. Wang, B. Liu, Chin. J. Struct. Chem. 32, 296 (2013)
B. Liu, J. Guo, S. Zhou, Q.W. Wang, X.M. Li, C.B. Li, Chin. J. Struct. Chem. 32, 199 (2013)
Q.W. Wang, X.F. Qi, X.M. Li, J.Y. Ji, Y.L. Niu, B. Liu, J. Inorg. Organomet. Polym. 23, 1313 (2013)
G.M. Sheldrick, SHELXS-97, Programs for X-ray Crystal Structure Solution (University of Göttingen, Göttingen, 1997)
G.M. Sheldrick, SHELXL-97, Programs for X-ray Crystal Structure Refinement (University of Göttingen, Göttingen, 1997)
M.J. Frisch, G.W. Trucks, H.B. Schlegel et al., Gaussian 09 (Gaussian Inc., Wallingford, 2009)
R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989)
M. Ernzerhof, G.E. Scuseria, J. Chem. Phys. 110, 5029 (1999)
C. Adamo, V.J. Barone, Chem. Phys. 110, 6158 (1999)
T.H. Dunning, P.J. Hay Jr, in Modern Theoretical Chemistry, ed. by H.F. Schaefer III (Plenum, New York, 1976), p. 1
X.M. Li, Y.R. Pan, J.Y. Ji, Y.L. Niu, Q.W. Wang, J. Inorg. Organomet. Polym. 24, 836 (2014)
M.J. Krische, J.M. Lehn, Struct. Bonding. 96, 3 (2000)
A. Gilbert, J. Baggott, Essentials of Molecular Photochemistry (CRC Press, Boca Raton, 1991)
Z.B. Han, Y.K. He, C.H. Ge, J. Ribas, L. Xu, Dalton Trans. 28, 3020 (2007)
C.M. Chen, H.Y. Chao, V.M. Miskowski, Y.Q. Li, K.K. Cheung, J. Am. Chem. Soc. 123, 4985 (2001)
J.D. Lin, X.F. Long, P. Lin, S.W. Du, Cryst. Growth Des. 10, 146 (2010)
R.Y. Huang, G.X. Liu, H.M. Xu, S. Nishihara, X.M. Ren, J. Inorg. Organomet. Polym. 42, 416 (2012)
G.G. Mohamed, N.E.A. El-Gamel, Spectrochim. Acta Part A 60, 3141 (2004)
U. Mukhopadhyay, I. Bernal, Cryst. Growth Des. 5, 1687 (2005)
G.L. Li, G.Z. Liu, L.L. Huang, L. Li, X. Zhang, J. Inorg. Organomet. Polym. 24, 617 (2014)
L. Wang, J. Zhao, L. Ni, J. Yao, J Inorg Gen. Chem. 638, 224 (2012)
Z.P. Li, Y.H. Xing, Y.H. Zhang, Acta Phys. Chim. Sin. 25, 741 (2009)
Acknowledgments
This work was supported by the Science and Technology Development Project of Jilin Provincial Science & Technology Department (201205080) and the Science and Technology Research Projects of the Education Department of Jilin Province (2013.384). Program supports from State Key Laboratory of Theoretical and Computational Chemistry of Tonghua Normal University are gratefully acknowledged.
Author information
Authors and Affiliations
Corresponding authors
Rights and permissions
About this article
Cite this article
Li, GF., Qi, XF., Li, XM. et al. Synthesis, Crystal Structure and Theoretical Calculations of a Zinc(II) Coordination Polymer Assembled by 4,4′-Oxydibenzoic acid and 1,3-Bis(imidazol-1-ylmethyl)-benzene Ligands. J Inorg Organomet Polym 25, 576–582 (2015). https://doi.org/10.1007/s10904-014-0145-6
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10904-014-0145-6