SYNTHESIS, CHARACTERIZATION AND MOLECULAR MODELING OF TRANSITION METAL COMPLEXES WITH THEOPHYLLINE
DOI:
https://doi.org/10.24193/subbchem.2017.4.18Keywords:
propane-1,2-diamine, theophylline, mixed-ligand complexes, PM6Abstract
Mixed-ligand complexes of Cu(II) and Ni(II) with deprotonated theophylline (th) and propane-1,2-diamine (pda) were synthesized and characterized by elemental analysis, IR spectroscopy, and thermal analysis. Calculations and geometry optimization were made applying Mopac 2012 program at the level of semi-empirical method PM6.
References
T.J. Kistenmacher, D.J. Szalda, L.G. Marzilli, Inorganic Chemistry, 1975, 14, 1686.
W.J. Birdsall, M.S. Zitzman, Journal of Inorganic & Nuclear Chemistry, 1979, 41, 116.
N.S. Begum, H. Manohar, Polyhedron, 1994, 13, 307.
M.B. Cingi, A.M.M. Lanfredi, A. Tiripicchio, M. Tiripicchio-Camellini, Transition Metal Chemistry, 1979, 4, 221.
K. Aoki, H. Yamazaki, Journal of the Chemical Society - Chemical Communications, 1980, 186.
D.J. Szalda, T.J. Kistenmacher, L.G. Marzilli, Journal of the American Chemical Society, 1976, 98, 8371.
D. Cozak, A. Mardhy, M.J. Olivier, A.L. Beauchamp, Inorganic Chemistry, 1986, 25, 2600.
J. Lorberth, W. Massa, M.E. Essawi, L. Labib, Angewandte Chemie- International Edition in English, 1988, 27, 1160.
E. Forizs, L. David, O. Cozar, V. Chis, G. Damian, J. Csibi, Journal of Molecular Structure, 1999, 482, 143.
E. Forizs, L. David, O. Cozar, C. Craciun, M. Venter, M. Kilyen, Journal of Molecular Structure, 1997, 408, 195.
F. Goga, E. Forizs, A. Avram, A. Rotaru, A. Lucian, I. Petean, A. Mocanu, M. Tomoaia-Cotisel, Revista de Chimie (Bucharest), 2017, 68(6), 1193.
O. Horovitz, Gh. Tomoaia, A. Mocanu, T. Yupsanis, M. Tomoaia-Cotisel, Gold Bulletin, 2007, 40(4), 295.
G. Furtos, M. Tomoaia-Cotisel, C. Garbo, M. Senila, N. Jumate, I. Vida-Simiti, C. Prejmerean, Particulate Science and Technology, 2013, 31(4), 392.
P. Bombicz, J. Madarász, E. Forizs, M. Czugler, G. Pokol, S. Gál, A. Kálmán, Zeitschrift für Kristallographie, 2000, 215, 317.
E. Forizs, A. Debreczeni, A. Patrut, A.-Z. Kun, I.B. Cozar, L. David, I. Silaghi-Dumitrescu, Revue Roumaine de Chimie, 2010, 55(10), 697.
C. Nagy, C. Somesan, A.-Z. Kun, B. Mihaly, E. Forizs, L. David, Studia UBB Chemia, 2011, 56(3), 265.
I. Potočňák, M. Vavra, D. Steinborn, C. Wagner, Acta Crystallographica Section E - Structure Reports Online, 2008, 64, m235.
E. Colacio, R. Kivekas, F. Lloret, M. Sunberg, J. Suarez-Varela, M. Bardaji, A. Laguna, Inorganic Chemistry, 2002, 41, 5141.
X. Hu, X. Xu, D. Wang, X. Li, Acta Crystallographica Section E- Structure Reports Online, 2008, 64, m1636.
Spartan’06, Wavefunction, Inc., Irvine, CA 2006.
J.J.P. Stewart, Journal of Molecular Modeling, 2007, 13, 1173.
MOPAC2012, J.J.P. Stewart, Stewart Computational Chemistry, Colorado Springs, CO, USA, HTTP://OpenMOPAC.net (2012).
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