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Experimental and quantum‐chemical studies of 1 H, 13 C and 15 N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines
Author(s) -
Pazderski Leszek,
Toušek Jaromír,
Sitkowski Jerzy,
Maliňáková Kateřina,
Kozerski Lech,
Szłyk Edward
Publication year - 2009
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2378
Subject(s) - chemistry , chemical shift , platinum , palladium , chloride , nuclear magnetic resonance spectroscopy , stereochemistry , medicinal chemistry , catalysis , organic chemistry
1 H, 13 C and 15 N NMR studies of gold(III), palladium(II) and platinum(II) chloride complexes with picolines, [Au(PIC)Cl 3 ], trans ‐[Pd(PIC) 2 Cl 2 ], trans / cis ‐[Pt(PIC) 2 Cl 2 ] and [Pt(PIC) 4 ]Cl 2 , were performed. After complexation, the 1 H and 13 C signals were shifted to higher frequency, whereas the 15 N ones to lower (by ca 80–110 ppm), with respect to the free ligands. The 15 N shielding phenomenon was enhanced in the series [Au(PIC)Cl 3 ] < trans ‐[Pd(PIC) 2 Cl 2 ] < cis ‐[Pt(PIC) 2 Cl 2 ] < trans ‐[Pt(PIC) 2 Cl 2 ]; it increased following the Pd(II) → Pt(II) replacement, but decreased upon the trans → cis ‐transition. Experimental 1 H, 13 C and 15 N 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.