Crystal quadrupole

Study of correlation times in polymers. Study of degree of ordering in nematic phase of liquid crystal quadrupole splittings detected by ENDOR. 2 2 ) X = halogen. ... 

DyES is Dy NGR 4.2 single crystal quadrupole coupling He, Wickman and Nowik (1966)... 

Wachtell (Ref 23) worked on the application of this principle. However, early in his work a major problem was encountered in finding the quadrupole resonance of the chlorine nucleus which did not exist in the frequency range in which it had been expected (20—40 megacycles). Nuclear Magnetic Resonance studies finally have shown that this quadrupole resonance should exist around 150 kilocycles. Future studies of single crystals of AP should reveal the presence and the exact location of this resonance. If this can be done, then the analysis of particle size, based on the shift of the quadrupole resonance frequency, may be possible... 

Currently, the effect of the molecular quadrupoles on liquid crystal properties is not clearly understood though there is some evidence to suggest that they influence surface properties and phase stability [28, 60]. 

The usual method of detecting the desorbed molecules in TPR and laser desorption is with a quadrupole mass spectrometer placed a few centimeters from the surface of the crystal. The use of a quadrupole mass spectrometer limits the experiment in several... 

The general influence of covalency can be qualitatively explained in a very basic MO scheme. For example, we may consider the p-oxo Fe(III) dimers that are encountered in inorganic complexes and nonheme iron proteins, such as ribonucleotide reductase. In spite of a half-filled crystal-field model), the ferric high-spin ions show quadrupole splittings as large as 2.45 mm s < 0, 5 = 0.53 mm s 4.2-77 K) [61, 62]. This is explained... 

Another typical example for anisotropic covalency is found in five-coordinate ferric compounds with intermediate spin S = 3/2 (also discussed in Sect. 8.2). Crystal field theory predicts a vanishing valence contribution to the EFG, whereas large quadrupole splittings up to more than 4 mm s are experimentally found. 

Distinct quadrupole shifts do occur as well in magnetically split spectra of single-crystals, poly crystalline powder or frozen solution samples. In all three cases, the line shifts obey the simple first-order expression at high-field condition. 

Fig. 4.13 Combined magnetic hyperfine interaction for Fe with strong electric quadrupole interaction. Top left, electric quadrupole splitting of the ground (g) and excited state (e). Top right first-order perturbation by magnetic dipole interaction arising from a weak field along the main component > 0 of the EFG fq = 0). Bottom the resultant Mossbauer spectrum is shown for a single-crystal type measurement with B fixed perpendicular to the y-rays and B oriented along...

Fig. 4.14 Magnetically perturbed quadrupole spectra simulated for powder distributions of the EFG (Vzz > 0) with an applied field B = 4T which is fixed in the laboratory system perpendicular to the y-beam/ The value of the quadrupole splitting is kept constant at AEq = +4 mm s For negative quadrupole splitting (V z < 0), the spectra would be inverted on the velocity scale. Note the difference in relative intensities for the spectrum for ry = 0 and the single-crystal type spectrum given in Fig. 4.13. Similar patterns are obtained for B y...

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