Synthesis, characterization and molecular modeling of transition metal complexes with theophylline

Synthesis, characterization and molecular modeling of transition metal complexes with theophylline

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...

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Veröffentlicht in:Studia Universitatis Babeș-Bolyai. Chemia 2017-12, Vol.62 (4), p.211-220
Hauptverfasser: Kun, Attila-zsolt, Csurka, Bettina, Goga, Firuta, Forizs, Edit, Patrut, Adrian
Format: Artikel
Sprache:eng
Schlagworte:
Analysis
Chronic obstructive lung disease
Theophylline
Transition metal compounds
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Zusammenfassung: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. Keywords: propane-1,2-diamine, theophylline, mixed-ligand complexes, PM6
ISSN:1224-7154
2065-9520
DOI:10.24193/subbchem.2017.4.18