Intramolecular dynamics of lanthanide(III) tetraoxadiaza macrocycle complexes in solution as studied by NMR

S. P. Babailov, L. D. Nikulina, J. H. Krieger

Результат исследований: Материалы для журналаСтатья

9 Цитирования (Scopus)

Выдержка

1H and 13C NMR and 1H NMR relaxation spectroscopy (RS) measurements are reported for the CDCl3 and CD 2Cl2 solutions of [La(NO3)3 (diaza-18-crown-6)] (I), [Pr(NO3)3 (diaza-18-crown-6)] (II) and [Nd(NO3)3 (diaza-18-crown-6)] (III) complexes. Temperature dependencies of the 1H NMR spectra of II have been analyzed using the dynamic NMR methods for multi-site exchange. Enantiomeric isomer interconversion in II is characterized by ΔH‡ = 21.5 ± 4 kJ mol-1. Studies of the values of the lanthanide-induced shifts and the longitudinal relaxation rate enhancement revealed that the structure of complexes in solution is similar to that reported for the [La(NO3)3(18-crown-6)] complex in the crystal state. Nevertheless, it appears that the principal values of the molar paramagnetic susceptibility tensor (χi) significantly differ in complexes II and III. The possible reasons for the different characteristics of these complexes are discussed.

Язык оригиналаАнглийский
Страницы (с-по)25-29
Число страниц5
ЖурналJournal of Inclusion Phenomena and Macrocyclic Chemistry
Том43
Номер выпуска1-2
DOI
СостояниеОпубликовано - 2002
Опубликовано для внешнего пользованияДа

Отпечаток

Lanthanoid Series Elements
rare earth elements
Nuclear magnetic resonance
nuclear magnetic resonance
isomers
crystals
spectroscopy
Isomers
Tensors
temperature
Magnetic Resonance Spectroscopy
Spectroscopy
tensors
magnetic permeability
Crystals
Temperature
18-crown-6
augmentation
shift
methodology

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics

Цитировать

Intramolecular dynamics of lanthanide(III) tetraoxadiaza macrocycle complexes in solution as studied by NMR. / Babailov, S. P.; Nikulina, L. D.; Krieger, J. H.

В: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Том 43, № 1-2, 2002, стр. 25-29.

Результат исследований: Материалы для журналаСтатья

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T1 - Intramolecular dynamics of lanthanide(III) tetraoxadiaza macrocycle complexes in solution as studied by NMR

AU - Babailov, S. P.

AU - Nikulina, L. D.

AU - Krieger, J. H.

PY - 2002

Y1 - 2002

N2 - 1H and 13C NMR and 1H NMR relaxation spectroscopy (RS) measurements are reported for the CDCl3 and CD 2Cl2 solutions of [La(NO3)3 (diaza-18-crown-6)] (I), [Pr(NO3)3 (diaza-18-crown-6)] (II) and [Nd(NO3)3 (diaza-18-crown-6)] (III) complexes. Temperature dependencies of the 1H NMR spectra of II have been analyzed using the dynamic NMR methods for multi-site exchange. Enantiomeric isomer interconversion in II is characterized by ΔH‡ = 21.5 ± 4 kJ mol-1. Studies of the values of the lanthanide-induced shifts and the longitudinal relaxation rate enhancement revealed that the structure of complexes in solution is similar to that reported for the [La(NO3)3(18-crown-6)] complex in the crystal state. Nevertheless, it appears that the principal values of the molar paramagnetic susceptibility tensor (χi) significantly differ in complexes II and III. The possible reasons for the different characteristics of these complexes are discussed.

AB - 1H and 13C NMR and 1H NMR relaxation spectroscopy (RS) measurements are reported for the CDCl3 and CD 2Cl2 solutions of [La(NO3)3 (diaza-18-crown-6)] (I), [Pr(NO3)3 (diaza-18-crown-6)] (II) and [Nd(NO3)3 (diaza-18-crown-6)] (III) complexes. Temperature dependencies of the 1H NMR spectra of II have been analyzed using the dynamic NMR methods for multi-site exchange. Enantiomeric isomer interconversion in II is characterized by ΔH‡ = 21.5 ± 4 kJ mol-1. Studies of the values of the lanthanide-induced shifts and the longitudinal relaxation rate enhancement revealed that the structure of complexes in solution is similar to that reported for the [La(NO3)3(18-crown-6)] complex in the crystal state. Nevertheless, it appears that the principal values of the molar paramagnetic susceptibility tensor (χi) significantly differ in complexes II and III. The possible reasons for the different characteristics of these complexes are discussed.

KW - Complexes of lanthanides

KW - Crown ethers

KW - Dynamic NMR

KW - Enthalpy of activation

KW - Molecular dynamics

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