Experimental and quantum‐chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines |
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| Authors: | Leszek Pazderski Jaromír Toušek Jerzy Sitkowski Kateřina Maliňáková Lech Kozerski Edward Szłyk |
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| Affiliation: | 1. Faculty of Chemistry, Nicholas Copernicus University, Gagarina 7, PL‐87100 Toruń, Poland;2. National Centre for Biomolecular Research, Masaryk University, Kamenice 5, CZ‐62500 Brno, Czech Republic;3. National Drug Institute, Che?mska 30/34, PL‐00725 Warsaw, Poland;4. Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, PL‐01224 Warsaw, Poland |
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| Abstract: | 1H, 13C and 15N NMR studies of gold(III), palladium(II) and platinum(II) chloride complexes with picolines, [Au(PIC)Cl3], trans‐[Pd(PIC)2Cl2], trans/cis‐[Pt(PIC)2Cl2] and [Pt(PIC)4]Cl2, were performed. After complexation, the 1H and 13C signals were shifted to higher frequency, whereas the 15N ones to lower (by ca 80–110 ppm), with respect to the free ligands. The 15N shielding phenomenon was enhanced in the series [Au(PIC)Cl3] < trans‐[Pd(PIC)2Cl2] < cis‐[Pt(PIC)2Cl2] < trans‐[Pt(PIC)2Cl2]; it increased following the Pd(II) → Pt(II) replacement, but decreased upon the trans → cis‐transition. Experimental 1H, 13C and 15N NMR chemical shifts were compared to those quantum‐chemically calculated by B3LYP/LanL2DZ + 6‐31G**//B3LYP/LanL2DZ + 6‐31G*. Copyright © 2008 John Wiley & Sons, Ltd. |
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| Keywords: | 15N NMR 1H NMR 13C NMR 15N CPMAS methylpyridines picolines gold complexes palladium complexes platinum complexes NMR coordination shifts |
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