Measurements of Quadrupole Interactions by Nuclear Orientation and Quadrupole-Interaction-Resolved NMR on Oriented Nuclei

1986 ◽  
Vol 41 (1-2) ◽  
pp. 95-98 ◽  
Author(s):  
K.-H. Ebeling ◽  
R. Eder ◽  
E. Hagn ◽  
E. Zech ◽  
M. Deicher
Keyword(s):  
Electric Field ◽  
Single Crystal ◽  
Electric Field Gradient ◽  
Single Crystals ◽  
Quadrupole Interaction ◽  
Nuclear Orientation ◽  
Hyperfine Fields ◽  
Host Matrix ◽  
Quadrupole Interactions

The techniques of quadrupole-interaction nuclear-orientation and quadrupole-interaction-resolvedNMR on oriented nuclei were applied to radioactive 111In (T1/2 = 2.8 d), 198Au(T1/2= 2.7 d) and 199Au (T1/2 = 3.1 d), mass-separator-implanted into single crystals of hep Coand hep Gd. For 111InGd the quadrupole interaction was observed via the broadening of theresonance and the dependence of the effective quadrupole interaction on the angle θbetween thec-axis of the single crystal and the direction of magnetization. For 198AuGd the large electric fieldgradient known from the literature could not be confirmed. For 198AuCo and 199AuCo thequadrupole substructure has been resolved, and the electric field gradient of Au in hep Co was determined to be -0.84(4) x 1017V/cm2. The magnetic hyperfine fields of Au in hep and fee Codiffer by about 20%. These experiments have shown that hep Co may be a good host matrix forthe determination of the quadrupole interaction of heavy radioactive nuclei with resonanceprecision.

Sign and Orientation Determination of the Principal Axis of the Electric Field Gradient in Fe57 Enriched Deoxygenated Myoglobin Single Crystals

1974 ◽  
Vol 29 (3-4) ◽  
pp. 241-244 ◽  
Author(s):  
Ulrich Gonser ◽  
Yutaka Maeda ◽  
Alfred Trautwein ◽  
Fritz Parak ◽  
Helmut Formanek
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Single Crystals ◽  
Field Gradient ◽  
Principal Axis ◽  
Quadrupole Split ◽  
Mössbauer Measurements ◽  
Orientation Determination ◽  
Two Alternatives

Single crystals of myoglobin enriched on Fe57 with a diameter of about 0.5 mm were prepared. After deoxygenation crystallographic alignment and Mössbauer measurements were carried out at 77°K. In the experiment eight different orientations were selected by rotating the crystal around the b axis, thus, b axis and γ-ray propagation direction remained perpendicular to each other. From the intensity ratio of the quadrupole split spectra we derive the sign and the orientation of the principal axis of the electric field gradient. We find Vzz to be positive and forming an angle of 40° to the b axis. From two alternatives consistent with our experiments we conclude that VZZ is most likely oriented along one of the four Fe-N directions in the heme.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Lattice-constant and stress measurement in single crystals: a new method

2005 ◽  
Vol 38 (4) ◽  
pp. 678-684 ◽  
Author(s):  
Balder Ortner
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Lattice Constant ◽  
Stress Measurement ◽  
New Method ◽  
Lattice Plane ◽  
X Ray ◽  
Advantages And Disadvantages

A method for the X-ray determination of lattice-plane distances is given. Similar to Bond's method, it is based on the measurement of rocking curves, with some advantages and disadvantages compared with the former method. The new method is especially designed for single-crystal stress measurement. Its usefulness is demonstrated in two examples of lattice-constant and stress measurement.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

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