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Synthesis, Structural Characterization and Computational Studies of Bis(2-Ethylimidazole) Bis(Formato)Zinc(II)-Water (1/1)

DOI: 10.4236/csta.2018.71001, PP. 1-18

Keywords: Zinc Complex, 2-Ethylimidazole, Hydrogen Bonds, Thermogravimetric Analysis, 1HNMR, 13CNMR, X-Ray, Theoretical Studies

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Abstract:

The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N2H8C5)2(OCHO)2]·H2O, 1 which has been characterized by several techniques, including elemental and thermal analyses, IR, 1HNMR and 13CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The results obtained show that this complex crystallizes in the orthorhombic crystal system of the Pbca space group, with cell parameters a = 14.7230(2) Å, b = 7.3880(10)
References

[1]  Delangle, P. and Mintz, E. (2012) Chelation Therapy in Wilson’s Disease: From D-Penicillamine to the Design of Selective Bioinspired Intracellular Cu(I) Chelators. Dalton Transactions, 41, 6359-6370.
https://doi.org/10.1039/C2DT12188C
[2]  Amit, P.S., Nagendra, K.K., Akhislesh, K.V. and Gupta, R. (2011) Synthesis, Structure Anticancer Activity of Copper(II) Complexes of N-Benzyl-2-(Diethylamino) Acetamide and 2-(Diethylamino)-N-Phenylethylacetamide. Indian Journal of Chemistry, 50A, 474-483.
[3]  Ngoune, J., Dzesse, C.N.T., Dongmo, G.C. and Tane, P. (2011) Compose Modele des Metalloproteines de Zinc: Synthese et Caracterisation du Complexe Bisformatobis (2-isopropylimidazole)zinc(II). Cameroon Journal of Experimental Biology, 7, 16-21.
http://www.ajol.info/browse-journals.php
https://doi.org/10.4314/cajeb.v7i1.69787
[4]  Bhattacharyya, S., Kumar, S.B., Dutta, S.K., Tiekink, E.R.T. and Chaudhury, M. (1996) Zinc(II) and Copper(II) Complexes of Pentacoordinating (N4S) Ligands with Flexible Pyrazolyl Arms: Syntheses, Structure, and Redox and Spectroscopic Properties. Inorganic Chemistry, 35, 1967-1973.
https://doi.org/10.1021/ic950594k
https://pubs.acs.org/doi/pdf/10.1021/ic950594k
[5]  Xu, Y., Wang, R.H., Lou, B.Y., Han, L. and Hong, M.C. (2004) Poly [Iron(II)-Di-l-Imidazole-4,5-Di-Carboxylato-j3N3,O4:O5]. Acta Crystallographica, C60, m296-m298.
https://doi.org/10.1107/S0108270104009813
[6]  Gomathi, R. and Ramu, A. (2013) Synthesis, Characterization of Novel Cu(II) Complexes of Isatin Derivatives as Potential Cytotoxicity, DNA Binding, Cleavage and Antibacterial Agents. International Journal of Innovative Research in Science, Engineering and Technology, 2, 4852-4865.
[7]  APEX2. Bruker AXS Inc., Madison, Wisconsin, USA, 2007.
[8]  (2004) Bruker Advanced X-Ray Solutions. SAINT and SADABS Programs. Bruker AXS Inc. Madison, Wisconsin, USA.
[9]  Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G.L., Giacovazzo, C., Polidori, G. and Spagna, R. (2003) SIR2002. Journal of Applied Crystallography, 36, 1103.
https://doi.org/10.1107/S0021889803012585
[10]  Sheldrick, G.M. (2015) Crystal Structure Refinement with SHELXL. Acta Crystallographica, C71, 3-8.
[11]  Amsterdam Density Functional (ADF) Version 2007.01.
http://www.scm.com
[12]  Umadevi, P. and Lalitha, P. (2012) Synthesis and Antimicrobial Evaluation of Imino Substituted 1, 3, 4 Oxa and Thiadiazoles. International Journal of Pharmacy and Pharmaceutical Sciences, 4, 523-527.
[13]  Mebi, A.C. (2011) DFT Study on Structure, Electronic Properties, and Reactivity of Cis-Isomers of [(NC5H4-S)2Fe(CO)2]. Journal of Chemical Sciences, 123, 727-731.
https://doi.org/10.1007/s12039-011-0131-2
[14]  Nazmul, I. and Dulal, C.G. (2012) On the Electrophilic Character of Molecules through Its Relation with Electronegativity and Chemical Hardness. International Journal of MolecularSciences, 13, 2160-2175.
https://doi.org/10.3390/ijms13022160
[15]  Fomuta, T.R., Ngoune, J., Djimassingar, G., Tayo Alain Djampouo, T.A., Matemb, J.M.N.T., Anguile, J.J. and Nenwa, J. (2017) Synthesis, Rietveld Refinement and DFT Studies of Bis (4,5-Dihydro-1H-Benzo[g]Indazole) Silver(I) Hexafluorophosphate Complex Salt. Open Journal of Inorganic Chemistry, 7, 102-115.
https://doi.org/10.4236/ojic.2017.74007
[16]  Kleij, A.W., Kuil, M., Lutz, M., Tooke, D.M. Spek, A.L., Kamer, P.C.J., Van Leeuwen, P.W.N.M., Joost, N.H. and Reek, J.N.H. (2006) Supramolecular Zinc(II)Salphen Motifs: Reversible Dimerization and Templated Dimeric Structures. Inorganica Chimica Acta, 359 1807-1814.
https://doi:10.1016/j.ica.2005.06.069
[17]  Kirby, J.P., Roberts, J.A. and Nocera, D.G. (1997) Significant Effect of Salt Bridges on Electron Transfer. Journal of the American Chemical Society, 119, 9230-9236.
https://doi.org/10.1021/ja970176
[18]  Marouani, H., Raouafi, N., Akriche, T., Al-Deyab, S.S. and Rzaigui, M. (2012) Synthesis, Crystal Structure and Computational Studies of 1-Phenylpiperazin-1,4-Diium Nitrate Monohydrate. Journal of Chemistry, 9, 772-779.
https://doi.org/10.1155/2012/826348
[19]  Manikandan, J., Rajarathinan, B., Kannan, M., Mnivel, P., Vasuki, G. and Krishna, R. (2014) Crystallographic and DFT Studies on Pyrrolo [1,2-c] Imidazole Scaffolds. Journal of Crystallography, 2014, 1-8.
https://doi.org/10.1155/2014/369061
[20]  Gangadharan, R.P. and Krishnan, S.S. (2014) Natural Bond Orbital (NBO) Population Analysis of 1-Azanapthalene-8-ol. Acta Physica Polonica A, 125, 18-22.
https://doi.org/10.12693/APhysPolA.125.18

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