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Title: Crystal structure of K[PtCl<inf>3</inf> (caffeine)] and its interactions with important nitrogen-donor ligands
Authors: Jovanović, Snežana
Puchta, Ralph
Klisuric, Olivera
Bugarčić, Živadin
Issue Date: 2016
Abstract: © 2016 Taylor & Francis. The crystal structure of K[PtCl3(caffeine)] was determined. The coordination geometry around platinum is square-planar formed by N9 of the caffeine ligand and three Cl- ions. The bond lengths and angles of K[PtCl3(caffeine)] were compared with those reported for [PtCl3(caffeine)]- and K[PtCl3(theobromine)]. At the level of the statistical significance of the data we have compared, no differences in the bond distances and angles for any of these compounds were noticed. Weak interactions between K+ and Cl- are responsible for the formation of 1-D polymeric chains in the crystal structure of the complex. The interactions of K[PtCl3(caffeine)] with inosine (Ino) and guanosine-5′-monophosphate (5′-GMP) were studied by 1H NMR spectroscopy at 295 K in D2O in a molar ratio of 1: 1. The results indicate formation of the reaction product [PtCl3(Nu)] (Nu=Ino or 5′-GMP) with the release of caffeine from the coordination sphere of the starting complex. The higher stability of the bond between the Pt(II) ion and Ino or 5′-GMP compared to the stability of the platinum-caffeine bond is confirmed by density functional theory calculations (B3LYP/LANL2DZp) using as models 9-methylhypoxanthine and 9-methylguanine.
Type: article
DOI: 10.1080/00958972.2016.1146257
ISSN: 0095-8972
SCOPUS: 2-s2.0-84959042049
Appears in Collections:Faculty of Science, Kragujevac

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