scholarly journals The Microstructure of γ-Alumina

Energies ◽  
2021 ◽  
Vol 14 (20) ◽  
pp. 6472
Author(s):  
Natalie M. Stuart ◽  
Karl Sohlberg
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Structural Models ◽  
Theoretical Data ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Nmr Data ◽  
Bulk Structure ◽  
Interstitial Hydrogen

Though γ-Al2O3 has played a central role in heterogeneous catalysis for more than two centuries, its microstructure continues to be debated. Specifically, the positions of Al3+ cations within the crystal lattice have been discussed extensively in the literature. Many authors uphold that the cations primarily occupy spinel sites, while others endorse the occupation of non-spinel sites. The other main point of dispute is whether the structure contains interstitial hydrogen, with some authors supporting a partially hydrated model and others claiming that the structure must be completely dehydrated. The use of different structural models directly affects the predicted geometry of γ-Al2O3 at the surface, which in turn has significant implications for its catalytic utility. A comparison of theoretical data to experimental infrared (IR), X-ray diffraction (XRD), and selected area electron diffraction (SAED) evidence suggests that γ-Al2O3 features cations primarily in spinel positions, while IR and nuclear magnetic resonance (NMR) data indicate that interstitial hydrogen is present within the bulk structure.

Bimolecular and Monomolecular Lipid Films: Selected Area Electron Diffraction

1969 ◽  
Vol 27 ◽  
pp. 338-339
Author(s):  
Robert M. Glaeser ◽  
David W. Deamer
Keyword(s):  
Electron Diffraction ◽  
Membrane Structure ◽  
Molecular Organization ◽  
Membrane Material ◽  
X Ray Diffraction ◽  
Membrane Systems ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Lipid Films ◽  
Ultimate Objective

In the investigation of the molecular organization of cell membranes it is often supposed that lipid molecules are arranged in a bimolecular film. X-ray diffraction data obtained in a direction perpendicular to the plane of suitably layered membrane systems have generally been interpreted in accord with such a model of the membrane structure. The present studies were begun in order to determine whether selected area electron diffraction would provide a tool of sufficient sensitivity to permit investigation of the degree of intermolecular order within lipid films. The ultimate objective would then be to apply the method to single fragments of cell membrane material in order to obtain data complementary to the transverse data obtainable by x-ray diffraction.

Surfactant involved in Copper Sulfide Nanocrystallites Synthesis

2009 ◽  
Vol 59 (12) ◽  
Author(s):  
Claudia Maria Simonescu ◽  
Valentin Serban Teodorescu ◽  
Camelia Capatina
Keyword(s):  
Copper Sulfide ◽  
X Ray Diffraction ◽  
Reaction Parameters ◽  
Reaction Conditions ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Transmission Electron ◽  
Shape Of Nanoparticles ◽  
Tem Transmission Electron Microscopy ◽  
Shape And Size

This paper presents the obtaining of copper sulfide CuS (covelite) from Cu(CH3COO)2.H2O and thioacetamide (TAA) system. The reaction was conducted in presence or absence of sodium-bis(2-ethylhexyl) sulfosuccinate (Na-AOT). The effects of various reaction parameters on the size and on the shape of nanoparticles have been examined. CuS obtained was characterized by X ray diffraction, IR spectroscopy, TEM � transmission electron microscopy and SAED selected area electron diffraction. The influence of surfactant to the shape and size of CuS (covellite) nanocrystals was established. The size of the nanocrystals varied from 10-60 nm depending on the reaction conditions such as quantity of surfactant.

The Electron Effect of Aromatic Group: Control Conformation of 2-Aromatic Cyclododecanone Derivatives

2020 ◽  
Vol 24 (10) ◽  
pp. 1139-1147
Author(s):  
Yang Mingyan ◽  
Wang Daoquan ◽  
Wang Mingan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
The Other ◽  
Repulsive Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Effect ◽  
Group Control

2-Phenylcyclododecanone and 2-cyclohexylcyclododecanone derivatives were synthesized and characterized by 1H NMR, 13C NMR, HR-ESI-MS and X-ray diffraction. Their preferred conformations were analyzed by the coupling constants in the 1H NMR spectra and X-ray diffraction, which showed the skeleton ring of these derivatives containing [3333]-2-one conformation, and the phenyl groups were located at the side-exo position of [3333]-2-one conformation due to the strong π-π repulsive interaction between the π- electron of benzene ring and π-electron of carbonyl group. The cyclohexyl groups were located at the corner-syn or the side-exo position of [3333]-2-one conformation depending on the hindrance of the other substituted groups. The π-π electron effect played a crucial role in efficiently controlling the preferred conformation of 2-aromatic cyclododecanone and the other 2-aromatic macrocyclic derivatives with the similar preferred square and rectangular conformations.

scholarly journals New Insights into the Crystal Chemistry of Elpidite, Na2Zr[Si6O15]·3H2O and (Na1+YCax□1−X−Y)Σ=2Zr[Si6O15]·(3−X)H2O, and Ab Initio Modeling of IR Spectra

Materials ◽  
2021 ◽  
Vol 14 (9) ◽  
pp. 2160
Author(s):  
Alexander Bogdanov ◽  
Ekaterina Kaneva ◽  
Roman Shendrik
Keyword(s):  
Ir Spectra ◽  
Structural Models ◽  
Chemical Characterization ◽  
Chemical Compositions ◽  
X Ray Diffraction ◽  
Special Group ◽  
X Ray ◽  
Influence Of Water ◽  
Radioactive Species

Elpidite belongs to a special group of microporous zirconosilicates, which are of great interest due to their capability to uptake various molecules and ions, e.g., some radioactive species, in their structural voids. The results of a combined electron probe microanalysis and single-crystal X-ray diffraction study of the crystals of elpidite from Burpala (Russia) and Khan-Bogdo (Mongolia) deposits are reported. Some differences in the chemical compositions are observed and substitution at several structural positions within the structure of the compounds are noted. Based on the obtained results, a detailed crystal–chemical characterization of the elpidites under study was carried out. Three different structure models of elpidite were simulated: Na2ZrSi6O15·3H2O (related to the structure of Russian elpidite), partly Ca-replaced Na1.5Ca0.25ZrSi6O15·2.75H2O (close to elpidite from Mongolia), and a hypothetical CaZrSi6O15·2H2O. The vibration spectra of the models were obtained and compared with the experimental one, taken from the literature. The strong influence of water molecule vibrations on the shape of IR spectra of studied structural models of elpidite is discussed in the paper.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

scholarly journals Quantifying the likelihood of structural models through a dynamically enhanced powder X‐ray diffraction protocol

2021 ◽  
Author(s):  
Sander Borgmans ◽  
Sven M.J. Rogge ◽  
Juul S. De Vos ◽  
Christian V. Stevens ◽  
Pascal Van Der Voort ◽  
...  
Keyword(s):  
Structural Models ◽  
X Ray Diffraction ◽  
X Ray

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

Solvothermal Synthesis of Bi2Se3 Hexagonal Nanosheet Crystals

2011 ◽  
Vol 236-238 ◽  
pp. 1712-1716 ◽  
Author(s):  
Hai Tao Liu ◽  
Jun Dai ◽  
Jia Jia Zhang ◽  
Wei Dong Xiang
Keyword(s):  
Electron Microscope ◽  
Solvothermal Synthesis ◽  
Solvothermal Method ◽  
Raw Materials ◽  
X Ray Diffraction ◽  
Uniform Size ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Transmission Electron ◽  
Scanning Electron

Bismuth selenide (Bi2Se3) hexagonal nanosheet crystals with uniform size were successfully prepared via a solvothermal method at 160°C for 22 h using bismuth trichloride(BiCl3) and selenium powder(Se) as raw materials, sodium bisulfite(NaHSO3) as a reducing agent, diethylene glycol(DEG) as solvent, and ammonia as pH regulator. Various techniques such as X-ray diffraction (XRD), field-emission scanning electron microscope (FESEM), high-resolution transmission electron microscope (HRTEM), and selected area electron diffraction (SAED) were used to characterize the obtained products. Results show that the as-synthesized samples are pure Bi2Se3 hexagonal nanosheet crystals. A possible growth mechanism for Bi2Se3 hexagonal nanosheet crystals is also discussed based on the experiment.

Studies Directed Towards the Total Synthesis of Anticapsin and Related Compounds. IV. Competitive Reaction of Amino and Carboxy Substituents in the Halohydrination of 2-Aminobicyclo[2.2.2]oct-5-ene-2-carboxylic Acid Derivatives

1994 ◽  
Vol 47 (12) ◽  
pp. 2221 ◽  
Author(s):  
MJ Crossley ◽  
SR Davies ◽  
TW Hambley
Keyword(s):  
Total Synthesis ◽  
The Other ◽  
X Ray Diffraction ◽  
Amino Groups ◽  
Competitive Reaction ◽  
Trimethylsilyl Group ◽  
X Ray ◽  
Tricyclic Compounds ◽  
Tricyclic Compound ◽  
Related Compounds

Bromohydrination of benzyl (1RS,2SR,4SR)-2-benzyloxycarbonylamino-1-trimethylsilyloxy-bicyclo[2.2.2]oct-5-ene-2-carboxylate (6a) and the (1RS,2RS,4SR)- diastereomer (6b) with N- bromoacetamide in aqueous dioxan has been investigated. These reactions are highly regio-and stereo-selective and give the corresponding bromohydrins (9a) and (9b), but in moderate to low yield. These bromohydrins have the necessary stereochemistry for conversion into anticapsin. The other products from the reaction are tricyclic compounds formed by capture of the anti- bromonium cation intermediates or resultant bromohydrins by interaction with the proximal protected carboxy and amino groups within the molecules. Thus the carbolactone (11) is formed from the endo -adduct (6a), and the carbonimidic acid derivative (12) and the cyclic urethane (13) are formed from the exo-adduct (6b). Cleavage of the trimethylsilyl group from the tricyclic compound (12) gives benzyl (1RS,2RS,3RS,7RS,8RS)-5-benzyloxy-2-bromo-8-hydroxy-4-oxa-6-azatricyclo[5.3.1.03,8]undec-5-ene-7-carboxylate(14), the structure of which was determined by X-ray diffraction methods and refined to a residual of 0.035 for 1549 independent observed reflections. The crystals of (14) are monoclinic, P21/c, a 12.954(3), b 6.197(3), c 26.784(7) Ǻ, β 95.33(2)°, Z 4. Reactions attempting to generate iodohydrins from the alkenes (6) were also highly regioselective and gave detrimethylsilylated iodo analogues of (11) and (13).

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