SYNTHESIS, CHARACTERIZATION AND MOLECULAR MODELING OF TRANSITION METAL COMPLEXES WITH THEOPHYLLINE

Authors

  • Attila-Zsolt KUN Department of Chemistry and Chemical Engineering, Hungarian Line of Study, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Cluj-Napoca, Romania. Email: attila.kun@ubbcluj.ro. https://orcid.org/0000-0002-6337-9228
  • Bettina CSURKA Department of Chemistry and Chemical Engineering, Hungarian Line of Study, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Cluj-Napoca, Romania. Corresponding author: attila.kun@ubbcluj.ro.
  • Firuţa GOGA Department of Chemical Engineering, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Cluj-Napoca, Romania. Email: fgoga@chem.ubbcluj.ro. https://orcid.org/0000-0001-8367-7874
  • Edit FORIZS Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University; Raluca Ripan Institute for Research in Chemistry, Cluj-Napoca, Romania. Email: eforizs@chem.ubbcluj.ro.
  • Adrian PATRUT Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University; Raluca Ripan Institute for Research in Chemistry, Cluj-Napoca, Romania. Email: apatrut@chem.ubbcluj. https://orcid.org/0000-0002-9862-6735

DOI:

https://doi.org/10.24193/subbchem.2017.4.18

Keywords:

propane-1,2-diamine, theophylline, mixed-ligand complexes, PM6

Abstract

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.

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Published

2017-12-29

How to Cite

KUN, A.-Z. ., CSURKA, B. ., GOGA, F., FORIZS, E., & PATRUT, A. (2017). SYNTHESIS, CHARACTERIZATION AND MOLECULAR MODELING OF TRANSITION METAL COMPLEXES WITH THEOPHYLLINE. Studia Universitatis Babeș-Bolyai Chemia, 62(4, Tome I), 211–220. https://doi.org/10.24193/subbchem.2017.4.18

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