NMR Studies of Solid-State Dynamics

Kruk, Danuta; Privalov, A. F.; Medycki, W.; Uniszkiewicz, C.; Masierak, Wlodzimierz; Jakubas, R.

doi:10.1016/b978-0-12-397019-0.00003-0

Cited by 15 publications

(19 citation statements)

References 156 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In consequence, its energy level structure depends on the orientation of the principal axes system (P) of the electric field gradient tensor with respect to the laboratory frame (L) determined by the direction of the external magnetic field, i.e., on the molecular orientation described by the set of Euler angles, Ω P L . Thus, the relaxation rate becomes orientation dependent (R HN 1 (ω H , Ω P L )); it can be obtained from the expression (here, written for the case of 14 N) 6,13,19,20 …”

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

“…The quantities s m, m (ω H , Ω P L ) are referred to as generalized spectral densities and can be calculated from the matrix products, 6,13 …”

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

“…while the spatial components of the quadrupole Hamiltonian are given as is diagonal in the basis |ψ α (Ω P L )⟩ ψ β (Ω P L ) ≡ |α, β) (Ω P L ) with elements given as 6,13 [M] α β,α β (…”

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

“…The potential of FC NMR relaxometry is highly appreciated for liquids and soft matter 1-3 but rarely exploited for solids. [4][5][6] The essential difference between liquid and solid systems is that in the first case, spin interactions are modulated by isotropic dynamics which leads to their zero average, while for solids, the dynamics is typically slow and/or anisotropic which gives rise to dipolar and quadrupolar interactions with non-zero average (they are referred to as residual interactions). In consequence, interpretation of relaxation results for liquids is much easier than for solids.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Dynamics of [C3H5N2]6[Bi4Br18] by means of 1H NMR relaxometry and quadrupole relaxation enhancement

Masierak

Florek–Wojciechowska

Oglodek

et al. 2015

The Journal of Chemical Physics

View full text Add to dashboard Cite

(1)H spin-lattice field cycling relaxation dispersion experiments in the intermediate phase II of the solid [C3H5N2]6[Bi4Br18] are presented. Two motional processes have been identified from the (1)H spin-lattice relaxation dispersion profiles and quantitatively described. It has been concluded that these processes are associated with anisotropic reorientations of the imidazolium ring, characterized by correlation times of the order of 10(-8) s-10(-9) s and of about 10(-5) s. Moreover, quadrupole relaxation enhancement (QRE) effects originating from slowly fluctuating (1)H-(14)N dipolar interactions have been observed. From the positions of the relaxation maxima, the quadrupole coupling parameters for the (14)N nuclei in [C3H5N2]6[Bi4Br18] have been determined. The (1)H-(14)N relaxation contribution associated with the slow dynamics has been described in terms of a theory of QRE [Kruk et al., Solid State Nucl. Magn. Reson. 40, 114 (2011)] based on the stochastic Liouville equation. The shape of the QRE maxima (often referred to as "quadrupole peaks") has been consistently reproduced for the correlation time describing the slow dynamics and the determined quadrupole coupling parameters.

show abstract

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

“…The quantities s m, m (ω H , Ω P L ) are referred to as generalized spectral densities and can be calculated from the matrix products, 6,13 …”

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

Section: Theory Of 1 H Spin-lattice Relaxation and Qrementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Dynamics of [C3H5N2]6[Bi4Br18] by means of 1H NMR relaxometry and quadrupole relaxation enhancement

Masierak

Florek–Wojciechowska

Oglodek

et al. 2015

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…Recently, we have demonstrated that for diamagnetic liquids NMR relaxometry can be used as a method complementary to gradient diffusometry; 2, 3 we have also reported promising results for solids. 4 By NMR relaxometry we understand relaxation dispersion studies, where the nuclear (typically proton) spin-lattice relaxation is measured over a broad range of resonance frequencies. Due to commercial availability of NMR relaxometers based on field cycling (FC) technique in the last decade such experiments have become routine.…”

Section: Introductionmentioning

confidence: 99%

Translational diffusion in paramagnetic liquids by 1H NMR relaxometry: Nitroxide radicals in solution

Kruk

Korpała

Kubica

et al. 2013

The Journal of Chemical Physics

View full text Add to dashboard Cite

For nitroxide radicals in solution one can identify three frequency regimes in which (1)H spin-lattice relaxation rate of solvent molecules depend linearly on square root of the (1)H resonance frequency. Combining a recently developed theory of nuclear (proton) spin-lattice relaxation in solutions of nitroxide radicals [D. Kruk et al., J. Chem. Phys. 137, 044512 (2012)] with properties of the spectral density function associated with translational dynamics, relationships between the corresponding linear changes of the relaxation rate (for (14)N spin probes) and relative translational diffusion coefficient of the solvent and solute molecules have been derived (in analogy to (15)N spin probes [E. Belorizky et al., J. Phys. Chem. A 102, 3674 (1998)]). This method allows a simple and straightforward determination of diffusion coefficients in spin-labeled systems, by means of (1)H nuclear magnetic resonance (NMR) relaxometry. The approach has thoroughly been tested by applying to a large set of experimental data-(1)H spin-lattice relaxation dispersion results for solutions of different viscosity (decalin, glycerol, propylene glycol) of (14)N and (15)N spin probes. The experiments have been performed versus temperature (to cover a broad range of translational diffusion coefficients) using field cycling spectrometer which covers three decades in (1)H resonance frequency, 10 kHz-20 MHz. The limitations of NMR relaxometry caused by the time scale of the translational dynamics as well as electron spin relaxation have been discussed. It has been shown that for spin-labeled systems NMR relaxometry gives access to considerably faster diffusion processes than for diamagnetic systems.

show abstract

Structural and Dynamic Properties of Amorphous Solid Dispersions: The Role of Solid-State Nuclear Magnetic Resonance Spectroscopy and Relaxometry

Paudel

Geppi

Mooter

2014

Journal of Pharmaceutical Sciences

116

103

View full text Add to dashboard Cite

NMR Studies of Solid-State Dynamics

Cited by 15 publications

References 156 publications

Dynamics of [C3H5N2]6[Bi4Br18] by means of 1H NMR relaxometry and quadrupole relaxation enhancement

Dynamics of [C3H5N2]6[Bi4Br18] by means of 1H NMR relaxometry and quadrupole relaxation enhancement

Translational diffusion in paramagnetic liquids by 1H NMR relaxometry: Nitroxide radicals in solution

Structural and Dynamic Properties of Amorphous Solid Dispersions: The Role of Solid-State Nuclear Magnetic Resonance Spectroscopy and Relaxometry

Contact Info

Product

Resources

About