Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline

Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline

Copyright (c) 2007 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 45(2007), 12 vom: 01. Dez., Seite 1045-58
1. Verfasser: Pazderski, Leszek (VerfasserIn)
Weitere Verfasser: Tousek, Jaromír, Sitkowski, Jerzy, Kozerski, Lech, Szłyk, Edward
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Carbon Isotopes Chlorides Ligands Nitrogen Isotopes Organometallic Compounds Phenanthrolines Protons Platinum mehr... 49DFR088MY 2,2'-Dipyridyl 551W113ZEP Palladium 5TWQ1V240M 1,10-phenanthroline W4X6ZO7939
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245 1 0 |a Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline 
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520 |a 1H, 13C and 15N NMR studies of platinide(II) (M=Pd, Pt) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline [LL=4,4'-dimethyl-2,2'-bipyridine (dmbpy); 4,4'-diphenyl-2,2'-bipyridine (dpbpy); 4,7-dimethyl-1,10-phenanthroline (dmphen); 4,7-diphenyl-1,10-phenanthroline (dpphen)] having a general [M(LL)Cl2] formula were performed and the respective chemical shifts (delta1H, delta13C, delta15N) reported. 1H high-frequency coordination shifts (Delta1Hcoord=delta1Hcomplex-delta1Hligand) were discussed in relation to the changes of diamagnetic contribution in the relevant 1H shielding constants. The comparison to literature data for similar [M(LL)(XX)], [M(LL)X2] and [M(LL)XY] coordination or organometallic compounds containing various auxiliary ligands revealed a large dependence of delta1H parameters on inductive and anisotropic effects. 15N low-frequency coordination shifts (Delta15Ncoord=delta 15Ncomplex-delta15Nligand) of ca 88-96 ppm for M=Pd and ca 103-111 ppm for M=Pt were attributed to both the decrease of the absolute value of paramagnetic contribution and the increase of the diamagnetic term in the expression for 15N shielding constants. The absolute magnitude of Delta15Ncoord parameter increased by ca 15 ppm upon Pd(II)-->Pt(II) transition and by ca 6-7 ppm following dmbpy-->dmphen or dpbpy-->dpphen ligand replacement; variations between analogous complexes containing methyl and phenyl ligands (dmbpy vs dpbpy; dmphen vs dpphen) did not exceed+/-1.5 ppm. Experimental 1H, 13C, 15N NMR chemical shifts were compared to those quantum-chemically calculated by B3LYP/LanL2DZ+6-31G**//B3LYP/LanL2DZ+6-31G*, both in vacuo and in DMSO or DMF solution 
650 4 |a Journal Article 
650 4 |a Research Support, Non-U.S. Gov't 
650 7 |a Carbon Isotopes  |2 NLM 
650 7 |a Chlorides  |2 NLM 
650 7 |a Ligands  |2 NLM 
650 7 |a Nitrogen Isotopes  |2 NLM 
650 7 |a Organometallic Compounds  |2 NLM 
650 7 |a Phenanthrolines  |2 NLM 
650 7 |a Protons  |2 NLM 
650 7 |a Platinum  |2 NLM 
650 7 |a 49DFR088MY  |2 NLM 
650 7 |a 2,2'-Dipyridyl  |2 NLM 
650 7 |a 551W113ZEP  |2 NLM 
650 7 |a Palladium  |2 NLM 
650 7 |a 5TWQ1V240M  |2 NLM 
650 7 |a 1,10-phenanthroline  |2 NLM 
650 7 |a W4X6ZO7939  |2 NLM 
700 1 |a Tousek, Jaromír  |e verfasserin  |4 aut 
700 1 |a Sitkowski, Jerzy  |e verfasserin  |4 aut 
700 1 |a Kozerski, Lech  |e verfasserin  |4 aut 
700 1 |a Szłyk, Edward  |e verfasserin  |4 aut 
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