Experimental and quantum-chemical studies of N-15 NMR coordination shifts in palladium and platinum chloride complexes with pyridine, 2,2 '-bipyridine and 1,10-phenanthroline

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Authors	PAZDERSKI Leszek SZLYK Edward SITKOWSKI Jerzy KAMIENSKI Bohdan KOZERSKI Lech TOUŠEK Jaromír MAREK Radek
Year of publication	2006
Type	Article in Periodical
Magazine / Source	Magnetic Resonance in Chemistry
MU Faculty or unit	Faculty of Science
Citation
Web	DOI: 10.1002/mrc.1740
Doi	http://dx.doi.org/10.1002/mrc.1740
Field	Physical chemistry and theoretical chemistry
Keywords	NMR; Quantum chemical calculations
Description	A series of Pd and Pt chloride complexes with pyridine (py), 2,2'-bipyridine (bpy) and 1,10-phenanthroline (phen), of general formulae trans-/cis-[M(pY)(2)Cl-2], [M(py)(4)]Cl-2, trans-/cis-[M(py)(2)Cl-4], [M(bpy)Cl-2], [M(bPy)Cl-4], [M(phen)Cl-2], [M(phen)Cl-4], where M = Pd, Pt, was studied by H-1, Pt-195, and N-15 NMR. The 90-140 ppm low-frequency N-15 coordination shifts are discussed in terms of such structural features of the complexes as the type of platinide metal, oxidation state, coordination sphere geometry and the type of ligand. The results of quantum-chemical NMR calculations were compared with the experimental N-15 coordination shifts, well reproducing their magnitude and correlation with the molecular structure.
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