Abstract
From the reaction of ZnCl2 and HgCl2 metal salts with (E)-4-chloro-N-(pyridine-2-ylmethylene)benzeneamine (L) in methanol solution, two binuclear Schiff base complexes were prepared. Both complexes were characterized by elemental analysis, UV–Vis, and IR spectrophotometry. X-ray crystal structure analysis showed that metal ion in the resulting centrosymmetric dinuclear ML2Cl4 complexes is in a distorted trigonal bipyramidal and a distorted square pyramidal coordination environment in the case of Zn(II) and Hg(II) metal ions, respectively. Three types of reaction between MCl2 salts and ligand L producing three different types of products—ML2 2+, MLCl2, and M2L2Cl4—were simulated in both the gas phase and solution. The gas phase calculations at DFT (B3LYP) level of theory using SDD, CEP-121G, and LanL2DZ basis sets showed that the binuclear M2L2Cl4 complexes are more stable than corresponding mononuclear MLCl2 complexes. Furthermore, both the gas phase and solution studies showed that the formation of M2L2Cl4 complexes from the metal cations, chloride anion, and ligand molecule is energetically more favored than that of MLCl2 and ML2 2+ complexes.
Similar content being viewed by others
References
H.C. Lukaski, Am. J. Clin. Nutr. 72, 585S (2000)
M. Jonsson, S. Linse, B. Frohm, A. Lundwall, J. Malm, Biochem. J. 387, 447 (2005)
Y. Iwatani, H. Takeuchi, K. Strebel, J.G. Levin, J. Virol. 80, 5992 (2006)
W. Kaim, B. Schwederski, Bioanorganische Chemie (Teubner, Stuttgart, 1991)
T.S.B. Baul, A. Lycka, R. Butcher, F.E. Smith, Polyhedron 23, 2323 (2004)
B. Chand, U. Ray, P.K. Santra, G. Mostafa, T.H. Lu, C. Sinha, Polyhedron 22, 1205 (2003)
L.Y. Wang, C.X. Zhang, D.Z. Liao, Z.H. Jiang, S.P. Yan, J. Coord. Chem. 58, 969 (2005)
G. Meyer, P. Nockemann, Z. Anorg, Allg. Chem. 629, 1447 (2003)
R.P. Bennett, Inorg. Chem. 9, 2184 (1970)
Y. Yu, A.R. Sadique, J.M. Smith, T.R. Dugan, R.E. Cowley, W.W. Brennessel, C.J. Flaschenriem, E. Bill, T.R. Cundari, P.L. Holland, J. Am. Chem. Soc. 130, 6624 (2008)
J.E. Hill, P.E. Fanwick, I.P. Rothwell, Inorg. Chem. 30, 1143 (1991)
D.D. Perrin, W.L. Armarego, D.R. Perrin, Purification of laboratory chemicals, 2nd edn. (Pergamon, New York, 1990)
S. Dehghanpour, A. Mahmoudi, Main Group Chem. 6, 121 (2007)
A.D. Becke, J. Chem. Phys. 98, 5648 (1993)
C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Pittsburg, PA (2003)
S. Salehzadeh, M. Bayat, Comput. Theor. Chem. 965, 131 (2011)
S. Salehzadeh, M. Bayat, J. Comp. Chem. 31, 2371 (2010)
S. Salehzadeh, A. Shooshtary, M. Bayat, Dalton Trans. 2865 (2009)
S. Salehzadeh, M. Bayat, M.D. Ward, J. Phys. Chem. A 112, 4090 (2008)
HYPERCHEM, Released 5.02, Hypercube Inc., Gainesville (1997)
V. Barone, M. Cossi, J. Phys. Chem. A 102, 1995 (1998)
G. M. Sheldrick, SHELXTL in v. 5.10, Structure Determination Software Suite, BrukerAXS, Madison
Bruker APEX2 software package, Bruker AXS Inc 5465 East Cheryl Parkway Madison WI 5317 (2005)
W.A. Addison, T.N. Rao, J. Reedijk, J. Rijn, G.C. Verschoor, Dalton Trans. 1349 (1984)
D. Das, B.G. Chand, K.K. Sarker, J. Dinda, C. Sinha, Polyhedron 25, 2333 (2006)
M.M. Yu, Q.Z. Shi, Y.N. Zhang, Z.X. Li, Acta Cryst. E65, m744 (2009)
M.B. Oliver, A. Terro, A.G. Raso, I. Turel, M. Morell, Acta Cryst. E66, m899 (2010)
R. Ahmadi A. Ebadi K. Kalateh A. Norouzi V. Amani Acta Cryst. E64, m1407 (2008)
L.C. Ferreiraa, C.A.L. Filgueirasa, L.C. Visentina, J. Bordinhao, M. Horner, Anorg. Z. Allg. Chem. 634, 1896 (2008)
Acknowledgments
We are grateful to the Bu-Ali Sina University for financial support.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Salehzadeh, S., Khalaj, M., Dehghanpour, S. et al. Reaction of ZnCl2 and HgCl2 metal salts with a bidentate Schiff base ligand in methanol solution, X-ray crystal structure, and theoretical studies. J IRAN CHEM SOC 10, 921–928 (2013). https://doi.org/10.1007/s13738-013-0229-1
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s13738-013-0229-1