Superionic compound Li3Sc2(PO4)3: NMR spectra and nuclear magnetic relaxation

Vashman, A. A.; Pronin, I. S.; Sigaryov, S.E.

doi:10.1016/0167-2738(92)90120-e

Cited by 18 publications

(16 citation statements)

References 5 publications

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“…To study the hydrogen bonding in I, NMR investigations were carried out in different solvents (CCl 4 , DMSO-d 6 , acetone-d 6 ) at various concentrations and temperatures, and the results are given in Table 1.…”

Section: Discussionmentioning

confidence: 99%

“…In the temperature interval of 22-50 • C, the activation energies of intramolecular mobility of methyl group were calculated [6] (Table 2) by the following formula with an error in of ±0.1-0.5 kJ/mol. where T (1) and T (2) are temperatures and T…”

Section: Discussionmentioning

confidence: 99%

“…NOE factors, relaxation times (T 1 ), the contributions of SR and DD mechanisms, the corresponding carbon relaxation rates (R 1 SR ), (R 1 DD ) and relaxation times (T 1 SR ), (T 1 DD ) for I and II were calculated in acetone-d 6 .…”

Section: Discussionmentioning

confidence: 99%

“…In 10% DMSO-d 6 For I and II, the intramolecular hydrogen bond energies were calculated using Schaefer's formula. [24] …”

Section: Discussionmentioning

confidence: 99%

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Molecular dynamics of cis‐1‐(2‐hydroxy‐5‐ methylphenyl)ethanone oxime and N‐(2‐hydroxy‐4‐methylphenyl)acetamide in solution studied by NMR spectroscopy

Мамедов

Eichhoff

Maharramov

et al. 2010

Magnetic Reson in Chemistry

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The formation of hydrogen bonds and molecular dynamics for the molecules cis-1-(2-hydroxy-5-methylphenyl)ethanone oxime (I) and N-(2-hydroxy-4-methylphenyl)acetamide (II) have been investigated in solution using NMR. The results confirm the formation of O-H...O, O-H...N and O...H-N type inter- and intramolecular hydrogen bonds. Spin-lattice relaxation times (T(1)), activation energy of molecular dynamics and energy of intramolecular hydrogen bonds have been determined.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

“…In 10% DMSO-d 6 For I and II, the intramolecular hydrogen bond energies were calculated using Schaefer's formula. [24] …”

Section: Discussionmentioning

confidence: 99%

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Molecular dynamics of cis‐1‐(2‐hydroxy‐5‐ methylphenyl)ethanone oxime and N‐(2‐hydroxy‐4‐methylphenyl)acetamide in solution studied by NMR spectroscopy

Мамедов

Eichhoff

Maharramov

et al. 2010

Magnetic Reson in Chemistry

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“…На-блюдаемый скачок σ dc также согласуется с данными 7 Li ЯМР [27], согласно которым при охлаждении в Li 3 Sc 2 (PO 4 ) 3 практически полное упорядочение катио-нов лития происходит при T γ−β ≈ 530 K. Кинетика суперионного перехода типа " порядок−бес-порядок" в Li 3 R 2 (PO 4 ) 3 определяется, главным образом, диффузионными процессами разупорядочения литиевой подрешетки. При охлаждении скорость процесса упо-рядочения в Li + -подрешетке Li 3 R 2 (PO 4 ) 3 , контролиру-емая диффузией катионов Li + (для завершения полного упорядочения Li + требуется определенное время), опре-деляет кинетику суперионного перехода и термических эффектов.…”

Section: T X Rdunclassified

Характеристики Li-=SUP=-+-=/SUP=--ионной проводимости кристаллов Li-=SUB=-3-=/SUB=-R-=SUB=-2-=/SUB=-(PO-=SUB=-4-=/SUB=-)-=SUB=-3-=/SUB=- (R=Fe,Sc) в суперионном состоянии

Сорокин¹

2018

Физика Твердого Тела

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The characteristics of Li+-ion conductivity σdc of structural γ modifications of Li_3R_2(PO_4)_3 compounds (R = Fe, Sc) existing in the superionic state have been investigated by impedance spectroscopy. The type of structural framework [R_2P_3O_12]_∞^3- affects the σdc value and the σdc activation enthalpy in these compounds. The ion transport activation enthalpy in γ-Li_3R_2(PO_4)_3 (Δ H _σ = 0.31 ± 0.03 eV) is lower than in γ-Li_3Fe_2(PO_4)_3 (Δ H _σ = 0.36 ± 0.03 eV). The conductivity of γ-Li_3Fe_2(PO_4)_3 (σ_dc = 0.02 S/cm at 573 K) is twice as high as that of γ-Li_3R_2(PO_4)_3. A decrease in temperature causes a structural transformation of Li_3R_2(PO_4)_3 from the superionic γ modification (space group Pcan ) through the intermediate metastable β modification (space group P 2_1/ n ) into the “dielectric” α modification (space group P 2_1/ n ). Upon cooling, σdc for both phosphates decreases by a factor of about 100 at the superionic TSIC transition. In Li_3Fe_2(PO_4)_3 σdc gradually decreases in the temperature range T _SIC = 430–540 K, whereas in Li_3R_2(PO_4)_3 σdc undergoes a jump at T _SIC = 540 ± 25 K. Possible crystallochemical factors responsible for the difference in the σdc and Δ H _σ values and the thermodynamics and kinetics of the superionic transition for Li_3R_2(PO_4)_3 are discussed.

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Stimulated-Echo NMR Spectroscopy of 9Be and 7Li in Solids: Method and Application to Ion Conductors

Jörg

Böhmer

2002

Solid State Nuclear Magnetic Resonance

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Superionic compound Li3Sc2(PO4)3: NMR spectra and nuclear magnetic relaxation

Cited by 18 publications

References 5 publications

Molecular dynamics of cis‐1‐(2‐hydroxy‐5‐ methylphenyl)ethanone oxime and N‐(2‐hydroxy‐4‐methylphenyl)acetamide in solution studied by NMR spectroscopy

Molecular dynamics of cis‐1‐(2‐hydroxy‐5‐ methylphenyl)ethanone oxime and N‐(2‐hydroxy‐4‐methylphenyl)acetamide in solution studied by NMR spectroscopy

Характеристики Li-=SUP=-+-=/SUP=--ионной проводимости кристаллов Li-=SUB=-3-=/SUB=-R-=SUB=-2-=/SUB=-(PO-=SUB=-4-=/SUB=-)-=SUB=-3-=/SUB=- (R=Fe,Sc) в суперионном состоянии

Stimulated-Echo NMR Spectroscopy of 9Be and 7Li in Solids: Method and Application to Ion Conductors

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