Variable-Temperature, Solid-State NMR Measurements to
Variable-temperature multinuclear solid-state NMR study of oxide ion dynamics in fluorite-type bismuth vanadate and phosphate solid electrolytes.
... the variable coordination number of V. The 17 O VT MAS NMR spectra clearly support this mechanism, as the coalesced resonances ob- served at high temperatures are directly indicative of a motionally ...
39
Variable-Temperature Multinuclear Solid-State NMR Study of Oxide Ion Dynamics in Fluorite-Type Bismuth Vanadate and Phosphate Solid Electrolytes
... the variable coordination number of V. The 17 O VT MAS NMR spectra clearly support this mechanism, as the coalesced resonances ob- served at high temperatures are directly indicative of a motionally ...
37
The use of variable temperature 13 C solid state MAS NMR and GIPAW DFT calculations to explore the dynamics of diethylcarbamazine citrate
... Experimental (293K) [25] and GIPAW a calculated isotropic NMR chemical shifts for 8. 13 C nuclei for different conformers of the diethycarbamazine citrate salt a at 293 K[r] ...
20
Solid-State NMR of CO2 Mineralization and NMR Crystallography
... the temperature in the circulating line should be same as that of the reaction ves- sel as much as ...indicator. Temperature regulation is carried out through a cartridge heater (Omega) in the base of the ...
148
Seminar. Solid-state NMR Spectroscopy
... B ~ 0 , (11) where I is nuclear spin quantum number, T temperature and N the number of nuclei with spin I in the sample. The polarization is the sum of all components of the nu- clear magnetic moments parallel to ...
15
The Diversity of the Liquid Ordered (Lo) Phase of Phosphatidylcholine/Cholesterol Membranes: A Variable Temperature Multinuclear Solid-State NMR and X-Ray Diffraction Study
... spinning NMR and wide-angle x-ray scattering were used to examine the in-plane intermolecular spacing, which approaches that of a fluid L a phase at high temperature and high cholesterol ...transition ...
11
Biological Membrane Structure By Solid-State NMR
... the temperature range between 25 and 65°C, all the pure DMPA spectra are axially symmetric and characteristic of lamellar ...increasing temperature with a major change between 40 and 50°C, which corresponds ...
7
Unraveling the complexity of protein backbone dynamics with combined 13C and 15N solid state NMR relaxation measurements
... the solid state, relatively large changes in bond lengths of CSA have minimal effects on the results of model free analysis of relaxation ...the solid state in a presence of slow motions small ...
13
Solid-state NMR of Complex Nano- and Microcrystalline Materials
... of solid forms of APIs plays an important role in drug development, both in the discovery of new forms and quality assurance in ...a variable hydrate HCl salt API is ...
379
Characterization of Inorganic Catalysts and Materials by Solid-State NMR
... The static spectra of complex 2 reveals κ = !0.6, which is similar to Cp 2 ZrCl 2 and 1, but Ω = 550 ppm, which is significantly larger than those of the chlorinated complexes. It is worth noting that the simulations of ...
447
Multinuclear solid state NMR for the characterisation of inorganic materials
... 66 potential SDA, thereby avoiding high pressures. 6,7 The role of SDAs is primarily considered to be as ‘space-fillers’, stabilising open frameworks over dense phases of similar composition. SDAs may direct a preferred ...
401
Combining solid state NMR spectroscopy with first principles calculations – a guide to NMR crystallography
... in NMR spectroscopy, and its growing use for determining or refining structural models, have led to the emergence of a new field, termed ‘‘NMR ...of NMR spectroscopy (often in combination with ...
19
Solid state NMR measurements and DFT calculations of the magnetic shielding tensors of protons of water trapped in barium chlorate monohydrate
... investigate and interpret this nding in terms of types of motion of water molecules in Ba(ClO 3 ) 2 $H 2 O. Conclusions The chemical shi tensors of the protons of isolated water mole- cules trapped in barium chlorate ...
11
Diffraction and Solid State NMR Studies of Inorganic Framework Materials.
... O NMR probes into the local oxygen environment and provides localised information about the oxygen ...sites. NMR can be used to investigate dynamic processes although prior to 2002 it had not been commonly ...
93
Multinuclear solid state NMR investigation of Hexaniobate and Hexatantalate compounds
... MAS NMR data (insert (B) in Figure 7) where the resonance at ~ + ...high temperature (450 °C), Ta was initially expected to be homogenously ...multinuclear solid state ...
48
Intermolecular interactions and protein dynamics by solid state NMR spectroscopy
... 1 measurements under the same experimental conditions highlighted general similarities of fast picosecond–nanosecond dynamics in both environments only minimally perturbed by strong intermo- lecular ...
7
The Evaluation of Polyethylene/Clay Composite from Solid State NMR
... 2.3. Solid State NMR Characterization High-resolution solid-state 13 C NMR spectroscopy ex- periments were carried out at room temperature in rotor of 7 mm of Zirconium ...
5
Structure of (KIAGKIA)3 Aggregates in Phospholipid Bilayers by Solid-State NMR
... gel state of the lipid ...transition temperature of the lipids, when the sample was slowly heated back to 35 ...a temperature-dependent transition between the two signals was observed close to the ...
13
Dynamic Nuclear Polarization Solid-State NMR in Heterogeneous Catalysis Research
... abundance measurements is that the 3-spin recoupling e ff ects and dipolar truncation are essentially absent, and carbon − carbon distances may be straightforwardly measured by assuming isolated spin ...
10
Computing of 93Nb NMR Parameters of Solid-State Niobates. The Geometry Matters
... The combination of several interactions often makes complex solid-state NMR spectra and it is frequently difficult to extract all the information from these measurements. First-principles ...
12