Document Detail

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.
MedLine Citation:
PMID:  19097135     Owner:  NLM     Status:  MEDLINE    
(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*.
Leszek Pazderski; Jaromír Tousek; Jerzy Sitkowski; Katerina Malináková; Lech Kozerski; Edward Szłyk
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Magnetic resonance in chemistry : MRC     Volume:  47     ISSN:  1097-458X     ISO Abbreviation:  Magn Reson Chem     Publication Date:  2009 Mar 
Date Detail:
Created Date:  2009-02-04     Completed Date:  2009-04-20     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9882600     Medline TA:  Magn Reson Chem     Country:  England    
Other Details:
Languages:  eng     Pagination:  228-38     Citation Subset:  IM    
Copyright Information:
2008 John Wiley & Sons, Ltd.
Faculty of Chemistry, Nicholas Copernicus University, Gagarina 7, PL-87100 Toruń, Poland.
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MeSH Terms
Carbon Isotopes
Gold Compounds / chemistry*
Magnetic Resonance Spectroscopy
Molecular Structure
Nitrogen Isotopes
Palladium / chemistry*
Picolines / chemistry*
Platinum Compounds / chemistry*
Quantum Theory*
Spectrophotometry, Infrared
Reg. No./Substance:
0/Carbon Isotopes; 0/Gold Compounds; 0/Nitrogen Isotopes; 0/Picolines; 0/Platinum Compounds; 0/Protons; 11118-27-7/gold chloride; 12648-47-4/platinum chloride; 7440-05-3/Palladium; 7647-10-1/palladium chloride

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