Abstract
Two complexes of gallium(III) with adduct ion pair compounds containing pyridine-2,6-dicarboxylic acid and two different Lewis bases are synthesized. The chemical formulae are (dmpH)[Ga(pydc)2]·2H2O, (1) and (bpyH2)1/2(pydcH2)1/2[Ga(pydc)2]·4H2O, (2) where pydc, dmp, and bpy are pyridine-2,6-dicarboxylate, 2,9-dimethyl-1,10-phenanthroline, and 4,4′-bipyridine respectively. The two crystal structures illustrate that the GaIII ion is six-coordinated by two pyridine-2,6-dicarboxylates. Hydrogen bonds as well as other noncovalent interactions such as ion-pairing, C-O...π, C-H...π, and π...π stacking play an important role in the formation of supramolecular systems. Particular attention is given to the molecular geometries and NMR properties of the complexes from the computational point of view. The electronic properties of the complexes are analysed using the parameters derived from the atoms in molecules (AIM) and natural bond orbital (NBO) methodologies at the B3LYP/6-311++G(2d,2p) computational level.
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References
L. F. Lindoy and I. M. Atkinson, Self Assembly in Supramolecular Systems, Royal Society of Chemistry, R. S. C. (2000).
J. M. Lehn, J. L. Atwood, J. E. D. Davies, D. D. MacNicol, and F. Vögtle (Eds.), in: Comprehensive Supramolecular Chemistry, Pergamon, Oxford, UK (1996).
G. A. Jeffrey and W. Saenger, Hydrogen Bonding in Biological Structures, Springer-Verlag, Berlin (1991).
J. M. Lehn, J. W. Steed, and J. L. Atwood, Supramolecular Chemistry, Wiley, Chichester (2000).
A. Moghimi, R. Alizadeh, A. Shokrollahi, H. Aghabozorg, M. Shamsipur, and A. Shockravi, Inorg. Chem., 42, 1616 (2003).
J. Soleimannejad, H. Aghabozorg, Y. Mohammadzadeh, M. Nasibipour, S. Sheshmani, and A. Shokrollahi, J. Iran. Chem. Soc., No. 8 (1), 247 (2011).
H. Aghabozorg, F. Ramezanipour, B. Nakhjavan, J. Soleimannejad, J. Attar Gharamaleki, and M. A. Sharif, Cryst. Res. Technol., 42, No. 11, 1137 (2007).
F. Ramezanipour, H. Aghabozorg, A. Shokrollahi, M. Shamsipur, H. Stoeckli-Evans, and J. Soleimannejad, J. Mol. Struct., 779,Nos. 1–3, 77 (2005).
A. Moghimi, M. A. Sharif, A. Shokrollahi, M. Shamsipur, and H. Aghabozorg, Z. Anorg. Allg. Chem., 631, 902 (2005).
A. Moghimi, S. Sheshmani, A. Shokrollahi, M. Shamsipur, G. Kickelbick, and H. Aghabozorg, Z. Anorg. Allg. Chem., 631, 160 (2005).
G. M. Sheldrick, SADABS, Univ. Göttingen, Germany (1996).
G. M. Sheldrick, SHELXS97 and SHELXL97, Univ. Göttingen, Germany (1997).
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem., 98, 11623 (2004).
M. J. Frisch, GAUSSIAN 03, Revision B02, Gaussian, Inc., Pittsburgh, PA (2003).
A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev., 88, 899 (1988).
R. F. W. Bader, Atoms in Molecules: A Quantum Theory, Oxford University Press, Oxford, UK (1990).
F. Biegler-Konig and J. Schonbohm, AIM2000 Program Package, Ver. 2.0, Univ. Applied Sciences, Bielefield, Germany (2002).
H. Aghabozorg, F. Manteghi, M. Ghadermazi, M. Mirzaei, A. R. Salimi, A. Shokrollahi, S. Derki, and H. E. Hosseini, J. Mol. Struct., 919, 381 (2009).
M. Solimannejad and L. Pejov, Chem. Phys. Lett., 385, 394 (2004).
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Original Russian Text © 2014 J. Soleimannejad, S. Sheshmani, M. Solimannejad, E. Nazarnia, F. Hosseinabadi.
The text was submitted by the authors in English. Zhurnal Strukturnoi Khimii, Vol. 55, No. 2, pp. 364–375, March–April, 2014.
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Soleimannejad, J., Sheshmani, S., Solimannejad, M. et al. Two supramolecular complexes of gallium(III) with different adduct ion pairs containing pyridine-2,6-dicarboxylic acid: Syntheses, characterization, crystal structures and computational study. J Struct Chem 55, 342–352 (2014). https://doi.org/10.1134/S0022476614020231
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DOI: https://doi.org/10.1134/S0022476614020231