Search results for "Electron diffraction"
showing 10 items of 191 documents
Advances in automated diffraction tomography
2009
Crystal structure solution by means of electron diffraction or investigation of special structural features needs high quality data acquisition followed by data processing which delivers cell parameters, space group and in the end a 3D data set. The final step is the structure analysis itself including structure solution and subsequent refinement.
Automated Electron Diffraction Tomography
2012
Ab-initio structure analysis by electron diffraction is hampered by two major problems: insufficient number of reflections sampled and an intensity alteration by dynamical scattering contribution or beam damage. Thus, in recent years the principles of automated diffraction tomography (ADT) allowing systematic reciprocal space sampling and automated data analysis were developed. Here the basic ideas of ADT and its general applicability will be discussed along with some examples of solved structures.
A Novel High‐Pressure Tin Oxynitride Sn 2 N 2 O
2020
Chemistry - a European journal in Press(in Press), chem.201904529 (2019). doi:10.1002/chem.201904529
"Ab initio" structure solution from electron diffraction data obtained by a combination of automated diffraction tomography and precession technique
2009
Using a combination of our recently developed automated diffraction tomography (ADT) module with precession electron technique (PED), quasi-kinematical 3D diffraction data sets of an inorganic salt (BaSO(4)) were collected. The lattice cell parameters and their orientation within the data sets were found automatically. The extracted intensities were used for "ab initio" structure analysis by direct methods. The data set covered almost the complete set of possible symmetrically equivalent reflections for an orthorhombic structure. The structure solution in one step delivered all heavy (Ba, S) as well as light atoms (O). Results of the structure solution using direct methods, charge flipping …
Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ra…
2017
The solid-state structure of star-shaped 2,4,6-tris{(E)-2-[4-(dimethylamino)-phenyl]ethenyl}-1,3,5-triazine is determined from a powder sample by exploiting the respective strengths of single-crystal three-dimensional electron diffraction and powder X-ray diffraction data. The unit-cell parameters were determined from single crystal electron diffraction data. Using this information, the powder X-ray diffraction data were indexed, and the crystal structure was determined from the powder diffraction profile. The compound crystallizes in a noncentrosymmetric space group,P212121. The molecular conformation in the crystal structure was used to calculate the molecular dipole moment of 3.22 Debye,…
Elektrónová a pásová štruktúra CuMnAs študovaná optickou a fotoemissinou spektroskopiou
2017
Tetragonal phase of CuMnAs progressively appears as one of the key materials for antiferromagnetic spintronics due to efficient current-induced spin-orbit torques whose existence can be directly inferred from crystal symmetry. Theoretical understanding of spintronic phenomena in this material, however, relies on the detailed knowledge of electronic structure (band structure and corresponding wave functions) which has so far been tested only to a limited extent. We show that AC permittivity (obtained from ellipsometry) and UV photoelectron spectra agree with density functional calculations. Together with the x-ray diffraction and precession electron diffraction tomography, our analysis confi…
H-bonding schemes of di- and tri-p-benzamides assessed by a combination of electron diffraction, X-ray powder diffraction and solid-state NMR
2010
The crystal structures of di- and tri-p-benzamides are solved by a combination of single crystal, electron and powder X-ray diffraction. Different hydrogen-bonding schemes observed in the two structures are described and classified. The hydrogen-bonding networks are correlated to complementary data obtained from multinuclear solid-state NMR.
An investigation of the spot profiles in transmission electron diffraction from Langmuir-Blodgett films of aliphatic chain compounds
1990
The profiles of the transmission diffraction spots from a Langmuir-Blodgett film of aliphatic chain compound are derived from three plausible models of molecular organisation : a polycrystalline phase with long-range orientational order; a paracrystal possessing a density of point defects which do not interrupt the lattice rows ; and a Nelson and Halperin hexatic smectic phase in the «Debye-Huckel» limit of weakly-interacting dislocations. The three resulting predictions are distinctly different. Experimental results are presented for the room-temperature diffraction patterns from Langmuir-Blodgett films of a lipid, DMPE, and the cadmium soap of a fatty acid, 22-tricosenoic. Only the Nelson…
A new interpretation of the 22-tricosenoic acid Langmuir-Blodgett structures identified as triclinic by Rheeds
1990
Abstract One of the original structural studies on Langmuir-Blodgett (LB) multilayers of 22-tricosenoic acid using the technique of reflection high-energy electron diffraction was performed by Peterson and Russell (1984, Phil. Mag. A, 49, 463). In their paper, four distinct structural arrangements of the long-chain fatty acid were identified, where the arrangement adopted by a particular sample was found to depend on the substrate and deposition conditions. The identification of the C2 H4 subcells in each of these arrangements was made on the basis of a number of assumptions, some of which have subsequently been shown to be erroneous. In particular, the identification of a triclinic subcell…
Using Electron Diffraction to Solve the Crystal Structure of a Laked Azo Pigment
2009
The structure of the ζ phase of Pigment Red 53:2 was solved using electron diffraction data. The unit cell determination appeared to be more complicated due to twinning of the crystals. A series of...