title: 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.
abstract: (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*.
authors.affiliation: Faculty of Chemistry, Nicholas Copernicus University, Gagarina 7, PL-87100 Toruń, Poland. leszekp@chem.uni.torun.pl
authors.forename: Leszek
authors.initials: L
authors.lastname: Pazderski
authors.forename: Jaromír
authors.initials: J
authors.lastname: Tousek
authors.forename: Jerzy
authors.initials: J
authors.lastname: Sitkowski
authors.forename: Katerina
authors.initials: K
authors.lastname: Malináková
authors.forename: Lech
authors.initials: L
authors.lastname: Kozerski
authors.forename: Edward
authors.initials: E
authors.lastname: Szłyk
mesh_terms: D002247:Carbon Isotopes; D017612:Gold Compounds / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009587:Nitrogen Isotopes; D010165:Palladium / Q000737:chemistry*; D010847:Picolines / Q000737:chemistry*; D017671:Platinum Compounds / Q000737:chemistry*; D011522:Protons; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared
chemical_list: D002247:Carbon Isotopes; D017612:Gold Compounds; D009587:Nitrogen Isotopes; D010847:Picolines; D017671:Platinum Compounds; D011522:Protons; C038016:gold chloride; C030173:platinum chloride; D010165:Palladium; C008756:palladium chloride