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Titolo:
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates
Autore:
Geraldes, CFGC; Zhang, SR; Platas, C; Rodriguez-Blas, T; de Blas, A; Sherry, AD;
Indirizzi:
Univ Coimbra, Dept Biochem, Fac Sci & Technol, P-3000 Coimbra, Portugal Univ Coimbra Coimbra Portugal P-3000 & Technol, P-3000 Coimbra, Portugal Univ Coimbra, Ctr Neurosci, P-3000 Coimbra, Portugal Univ Coimbra Coimbra Portugal P-3000 Neurosci, P-3000 Coimbra, Portugal Univ Texas, Dept Chem, Richardson, TX 75083 USA Univ Texas Richardson TX USA 75083 s, Dept Chem, Richardson, TX 75083 USA Univ Texas, SW Med Ctr, Mary Nell & Ralph B Rogers Magnet Resonance Ctr, Dept Radiol, Dallas, TX 75235 USA Univ Texas Dallas TX USA 75235 nce Ctr, Dept Radiol, Dallas, TX 75235 USA Univ Coruna, Dept Quim Fundamental & Ind, A Coruna 15071, Spain Univ Coruna A Coruna Spain 15071 undamental & Ind, A Coruna 15071, Spain
Titolo Testata:
JOURNAL OF ALLOYS AND COMPOUNDS
, volume: 323, anno: 2001,
pagine: 824 - 827
SICI:
0925-8388(20010712)323:<824:CODMFS>2.0.ZU;2-Y
Fonte:
ISI
Lingua:
ENG
Soggetto:
MAGNETIC-RESONANCE SHIFTS; COMPLEXES;
Keywords:
NMR; paramagnetic effects; lanthanide-induced shifts; solution structures; cryptate;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
11
Recensione:
Indirizzi per estratti:
Indirizzo: Geraldes, CFGC Univ Coimbra, Dept Biochem, Fac Sci & Technol, P-3000 Coimbra, Portugal Univ Coimbra Coimbra Portugal P-3000 00 Coimbra, Portugal
Citazione:
C.F.G.C. Geraldes et al., "Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates", J ALLOY COM, 323, 2001, pp. 824-827

Abstract

The three main methods available in the literature for lanthanide-induced shift (LIS) structural analysis of a series of lanthanide(III) complexes insolution are applied to the data available for a complete series of paramagnetic lanthanide cryptate complexes of a Schiff base axial macrobicyclic ligand L, [LnL](3+). The macrobicycle contracts its cavity as a result of the lanthanide contraction, while preserving the same overall structure in solution. This causes breaks in the LIS plots for all the three methods used. A combined analysis of the data allows to conclude that those breaks reflect abrupt changes of the crystal field parameter A(2)(0)<r(2)> and the hyperfine constants F-i of the lanthanides in the middle of the series, but notof the structure of the complex in solution. (C) 2001 Elsevier Science B.V. All rights reserved.

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Documento generato il 02/12/20 alle ore 04:58:11