NMR studies of mixed-ligand lanthanide (III) complexes. Peculiarities of molecular structure, dynamics and paramagnetic properties for cerium subgroup chelates with crown ethers

Sergey P. Babailov, Dmitry A. Mainichev

Результат исследований: Материалы для журналаСтатья

10 Цитирования (Scopus)

Выдержка

The molecular structure, dynamics and paramagnetic properties of the complex cations [Ln(ptfa)2 (18-crown-6)]+ in deuterated toluene were studied for Ln = La, Ce, Pr and Nd. The activation enthalpy values of 68 ± 5, 55 ± 15 and 60 ± 13 kJ mol-1 for the 18-crown-6 conformational inversion processes for the complex cations of Ce, Pr and Nd, respectively, were obtained. Quantitative investigation of the lanthanide-induced chemical shifts shows a monotonic change of a spatial structure and magnetic susceptibility in comparison with the Bleaney predicted dependence. The free energy of molecular inversion activation for 18-crown-6 molecules in the complex cation [Ln(fod)2(18-crown-6)]+ is 74 ± 9 kJ mol-1 at 363 K, which is a little more than the value of the free energy of activation 64 ± 9 kJ mol-1 at 363 K in the complex cation [Ln(ptfa)2(18-crown-6)]+.

Язык оригиналаАнглийский
Страницы (с-по)187-193
Число страниц7
ЖурналJournal of Inclusion Phenomena and Macrocyclic Chemistry
Том43
Номер выпуска3-4
DOI
СостояниеОпубликовано - 2002
Опубликовано для внешнего пользованияДа

Отпечаток

cerium
Crown Ethers
Cerium
Lanthanoid Series Elements
rare earth elements
chelates
Molecular Dynamics Simulation
subgroups
Molecular Structure
chemical structure
Molecular structure
ethers
cations
molecular structure
Nuclear magnetic resonance
Cations
Ligands
nuclear magnetic resonance
ligands
activation

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics

Цитировать

NMR studies of mixed-ligand lanthanide (III) complexes. Peculiarities of molecular structure, dynamics and paramagnetic properties for cerium subgroup chelates with crown ethers. / Babailov, Sergey P.; Mainichev, Dmitry A.

В: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Том 43, № 3-4, 2002, стр. 187-193.

Результат исследований: Материалы для журналаСтатья

@article{15aee9a891d3482d844a7e0010f4248f,
title = "NMR studies of mixed-ligand lanthanide (III) complexes. Peculiarities of molecular structure, dynamics and paramagnetic properties for cerium subgroup chelates with crown ethers",
abstract = "The molecular structure, dynamics and paramagnetic properties of the complex cations [Ln(ptfa)2 (18-crown-6)]+ in deuterated toluene were studied for Ln = La, Ce, Pr and Nd. The activation enthalpy values of 68 ± 5, 55 ± 15 and 60 ± 13 kJ mol-1 for the 18-crown-6 conformational inversion processes for the complex cations of Ce, Pr and Nd, respectively, were obtained. Quantitative investigation of the lanthanide-induced chemical shifts shows a monotonic change of a spatial structure and magnetic susceptibility in comparison with the Bleaney predicted dependence. The free energy of molecular inversion activation for 18-crown-6 molecules in the complex cation [Ln(fod)2(18-crown-6)]+ is 74 ± 9 kJ mol-1 at 363 K, which is a little more than the value of the free energy of activation 64 ± 9 kJ mol-1 at 363 K in the complex cation [Ln(ptfa)2(18-crown-6)]+.",
keywords = "Complexes, Crown ethers, Dynamic NMR, Enthalpy of activation, Lanthanides, Molecular dynamics",
author = "Babailov, {Sergey P.} and Mainichev, {Dmitry A.}",
year = "2002",
doi = "10.1023/A:1021237718495",
language = "English",
volume = "43",
pages = "187--193",
journal = "Journal of Inclusion Phenomena and Molecular Recognition in Chemistry",
issn = "1388-3127",
publisher = "Kluwer Academic Publishers",
number = "3-4",

}

TY - JOUR

T1 - NMR studies of mixed-ligand lanthanide (III) complexes. Peculiarities of molecular structure, dynamics and paramagnetic properties for cerium subgroup chelates with crown ethers

AU - Babailov, Sergey P.

AU - Mainichev, Dmitry A.

PY - 2002

Y1 - 2002

N2 - The molecular structure, dynamics and paramagnetic properties of the complex cations [Ln(ptfa)2 (18-crown-6)]+ in deuterated toluene were studied for Ln = La, Ce, Pr and Nd. The activation enthalpy values of 68 ± 5, 55 ± 15 and 60 ± 13 kJ mol-1 for the 18-crown-6 conformational inversion processes for the complex cations of Ce, Pr and Nd, respectively, were obtained. Quantitative investigation of the lanthanide-induced chemical shifts shows a monotonic change of a spatial structure and magnetic susceptibility in comparison with the Bleaney predicted dependence. The free energy of molecular inversion activation for 18-crown-6 molecules in the complex cation [Ln(fod)2(18-crown-6)]+ is 74 ± 9 kJ mol-1 at 363 K, which is a little more than the value of the free energy of activation 64 ± 9 kJ mol-1 at 363 K in the complex cation [Ln(ptfa)2(18-crown-6)]+.

AB - The molecular structure, dynamics and paramagnetic properties of the complex cations [Ln(ptfa)2 (18-crown-6)]+ in deuterated toluene were studied for Ln = La, Ce, Pr and Nd. The activation enthalpy values of 68 ± 5, 55 ± 15 and 60 ± 13 kJ mol-1 for the 18-crown-6 conformational inversion processes for the complex cations of Ce, Pr and Nd, respectively, were obtained. Quantitative investigation of the lanthanide-induced chemical shifts shows a monotonic change of a spatial structure and magnetic susceptibility in comparison with the Bleaney predicted dependence. The free energy of molecular inversion activation for 18-crown-6 molecules in the complex cation [Ln(fod)2(18-crown-6)]+ is 74 ± 9 kJ mol-1 at 363 K, which is a little more than the value of the free energy of activation 64 ± 9 kJ mol-1 at 363 K in the complex cation [Ln(ptfa)2(18-crown-6)]+.

KW - Complexes

KW - Crown ethers

KW - Dynamic NMR

KW - Enthalpy of activation

KW - Lanthanides

KW - Molecular dynamics

UR - http://www.scopus.com/inward/record.url?scp=0347656726&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0347656726&partnerID=8YFLogxK

U2 - 10.1023/A:1021237718495

DO - 10.1023/A:1021237718495

M3 - Article

AN - SCOPUS:0347656726

VL - 43

SP - 187

EP - 193

JO - Journal of Inclusion Phenomena and Molecular Recognition in Chemistry

JF - Journal of Inclusion Phenomena and Molecular Recognition in Chemistry

SN - 1388-3127

IS - 3-4

ER -