scholarly journals Synthesis, Vibrational Spectroscopy and Optical Study of Bi-Tetrabutylphosphonium Hexachlorostannate

2021 ◽  
Author(s):  
I. Mbarek ◽  
M. Ben Gzaiel ◽  
A. Oueslati ◽  
M Gargouri
Keyword(s):  
Powder Diffraction ◽  
Absorption Measurement ◽  
Optical Study ◽  
X Ray Diffraction ◽  
Two Phase ◽  
Monoclinic System ◽  
X Ray ◽  
Optical Absorption Measurement ◽  
Raman Study

Abstract The single crystals of bi-tetrabutylphosphonium hexachlorostannate were grown by solvent evaporated method and characterized by X-ray powder diffraction, Raman spectroscopy and optical study. The X-ray powder diffraction indicates that it was crystallized in the monoclinic system, with C2/c space group. Besides, temperature-controlled X-ray diffraction show that the [P(C4H9)4]2SnCl6 compound indicate the presence of two phase transitions detected at 388 and 403 K. The evolution of Raman line shifts, “ν”, and the half-width, “Δν”, versus temperature show some singularities associated with the transitions, suggesting the important role of the anionic parts ((SnCl6)2-). Besides, the results of the Raman study confirms the conclusion drawn from the X-ray powder diffraction measurements that the phase transition are located near 388K and 403K.Furthermore, an optical absorption measurement confirms the semiconductor nature with a band gap equal to 3.46eV.

Synthesis and X-ray diffraction data of 1-N-(4-pyridylmethyl)amino naphthalene

2010 ◽  
Vol 25 (1) ◽  
pp. 72-74 ◽  
Author(s):  
H. A. Camargo ◽  
J. A. Henao ◽  
D. F. Amado ◽  
V. V. Kouznetsov
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

1-N-(4-pyridylmethyl)amino naphtalene was synthesized by means of a reaction of alpha-naphthylamine, 4-pyridylcarboxyaldehyde, in anhydrous ethanol to obtainN-(4-pyridylen)-alpha-naphthylamine and that was reduced with NaBH4 to produce the wanted compound. The X-ray powder diffraction pattern for the new compound 1-N-(4-pyrydylmethyl)amino naphtalene was obtained. This compound crystallizes in a monoclinic system with refined unit cell parameters a=10.375(5) Å, b=17.665(6) Å, c=5.566(2) Å, β=100.11(3), and V=1004.3(5) Å3, with space group P2/m (No. 10).

Powder diffraction investigations of naphthalenesulfonic acids and their complexes with DMAN

2004 ◽  
Vol 19 (4) ◽  
pp. 378-384
Author(s):  
A. Rafalska-Lasocha ◽  
M. Grzywa ◽  
B. Włodarczyk-Gajda ◽  
W. Lasocha
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Acid Hydrate ◽  
M 12 ◽  
Diffraction Patterns

The X-ray diffraction patterns of two organic acids 1-naphthalenesulfonic acid dihydrate and 2-naphthalenesulfonic acid hydrate were measured at room temperature. Complexes of these acids with 1,8-bis(dimethylamino)naphthalene (DMAN) were synthesized, purified and investigated by means of X-ray powder diffraction. 1-Naphthalenesulfonic acid dihydrate as well as its complex with 1,8-bis(dimethylamino)naphthalene crystallize in the monoclinic system with unit cell parameters refined to a=0.91531(8) nm, b=0.7919(1) nm, c=0.8184(1) nm, β=101.618(9)° space group P21/m (11) and a=1.7781(4) nm, b=2.0122(4) nm, c=1.2337(2) nm, β=96.54(3)°, space group C2/m (12), respectively. 2-Naphthalenesulfonic acid hydrate crystallizes in the orthorhombic system with a=2.2749(3) nm, b=0.7745(1) nm, c=0.591 36(9) nm, space group Pnma, whereas its complex with 1,8-bis(dimethylamino)naphthalene crystallizes in the triclinic system a=1.3969(6) nm, b=1.4292(5) nm, c=1.1741(6) nm, α=90.93(3)°, β=98.14(3)°, γ=113.93(3)°, space group P-1 (2).

scholarly journals A new theory for X-ray diffraction

2014 ◽  
Vol 70 (3) ◽  
pp. 257-282 ◽  
Author(s):  
Paul F. Fewster
Keyword(s):  
Powder Diffraction ◽  
Lorentz Factor ◽  
Conventional Theory ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intensity Measurements ◽  
X Ray Scattering ◽  
Fixed Orientation ◽  
Temperature Factors

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinctionetc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

Near-Infrared Photodetection with Molecular Beam Epitaxy Grown Extended InGaAs

2005 ◽  
Vol 883 ◽  
Author(s):  
Jun-Xian Fu ◽  
Xiaojun Yu ◽  
Yu-Hsuan Kuo ◽  
James S Harris
Keyword(s):  
Electron Microscope ◽  
Molecular Beam Epitaxy ◽  
Optical Absorption ◽  
Molecular Beam ◽  
Near Infrared ◽  
Absorption Measurement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Optical Absorption Measurement ◽  
Infrared Photodetection

AbstractStrain-balanced InxGa1-xAs/InyGa1-yAs superlattices and fractional monolayer In0.532Ga0.468As/InAs superlattices were grown by solid-source molecular beam epitaxy (SSMBE) in order to extend the photodetection wavelength range beyond 1.7μm. Material qualities were characterized by transmitted electron microscope (TEM), X-ray diffraction (XRD), roomtemperature photoluminesecence (RTPL) and optical absorption measurement.

Synthesis and X-ray diffraction data for dibromo-dioxo-(1,10-phenanthroline-N,N′)-molybdenum(VI) (C12H8N2MoBr2O2)

2016 ◽  
Vol 31 (1) ◽  
pp. 66-70
Author(s):  
H. A. Camargo ◽  
J. A. Henao ◽  
N. J. Castellanos
Keyword(s):  
Powder Diffraction ◽  
Hydrobromic Acid ◽  
Unit Cell ◽  
Molybdic Acid ◽  
X Ray Diffraction ◽  
Molybdenum Complex ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

The dibromo-dioxo-(1,10-phenanthroline-N,N′)-molybdenum(VI) complex (C12H8N2MoBr2O2) was prepared from molybdic acid and 1,10-phenanthroline using hydrobromic acid as solvent. The molybdenum complex solid was separated by filtration and washed with ethyl ether. The X-ray powder diffraction pattern for the title compound was analyzed and found to crystallizes in monoclinic system, space group P21/c (No14) with refined unit-cell parameters a = 12.036 (1), b = 9.819 (1), c = 12.671 (2) Å, and β = 110.44° (1). The volume of the unit cell is V = 1403.2 (3) Å3.

Synthesis and X-ray diffraction data of 7-methyl-cis-2-(1’-naphthyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-ol

2011 ◽  
Vol 26 (S1) ◽  
pp. S55-S57
Author(s):  
M. A. Macías ◽  
J. A. Henao ◽  
Carlos Mario Sanabria ◽  
Alirio Palma
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Chemical Formula ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

The 7-methyl-cis-2-(1’-naphthyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-ol (chemical formula C21H21NO) was prepared via the reductive cleavage of the bridged N-O bond of the corresponding 7-methyl-2-exo-(1′-naphthyl)-1,4-epoxytetrahydro-1-benzazepine. The X-ray powder diffraction pattern for the new compound was analyzed and found that the title compound crystallizes in a monoclinic system with space group P2/c (No. 13) and refined unit-cell parameters a = 11.012(2), b = 18.613(5), c = 7.316(4) Å, β = 102.88(3) ° and V = 1461.8(7) Å3.

scholarly journals Exceptional phonon point versus free phonon coupling in Zn1−xBexTe under pressure: an experimental and ab initio Raman study

2022 ◽  
Vol 12 (1) ◽  
Author(s):  
M. B. Shoker ◽  
T. Alhaddad ◽  
O. Pagès ◽  
V. J. B. Torres ◽  
A. V. Postnikov ◽  
...  
Keyword(s):  
Ab Initio ◽  
Mixed Crystals ◽  
Exceptional Point ◽  
Phonon Coupling ◽  
X Ray Diffraction ◽  
X Ray ◽  
Point Versus ◽  
Raman Study ◽  
Effective Transfer

AbstractRaman scattering and ab initio Raman/phonon calculations, supported by X-ray diffraction, are combined to study the vibrational properties of Zn1−xBexTe under pressure. The dependence of the Be–Te (distinct) and Zn–Te (compact) Raman doublets that distinguish between Be- and Zn-like environments is examined within the percolation model with special attention to x ~ (0,1). The Be-like environment hardens faster than the Zn-like one under pressure, resulting in the two sub-modes per doublet getting closer and mechanically coupled. When a bond is so dominant that it forms a matrix-like continuum, its two submodes freely couple on crossing at the resonance, with an effective transfer of oscillator strength. Post resonance the two submodes stabilize into an inverted doublet shifted in block under pressure. When a bond achieves lower content and merely self-connects via (finite/infinite) treelike chains, the coupling is undermined by overdamping of the in-chain stretching until a «phonon exceptional point» is reached at the resonance. Only the out-of-chain vibrations «survive» the resonance, the in-chain ones are «killed». This picture is not bond-related, and hence presumably generic to mixed crystals of the closing-type under pressure (dominant over the opening-type), indicating a key role of the mesostructure in the pressure dependence of phonons in mixed crystals.

scholarly journals Exceptional Phonon Point Versus Free Phonon Coupling in Zn1-xBexTe Under Pressure: An Experimental and ab Initio Raman Study

2021 ◽  
Author(s):  
M. B. Shoker ◽  
T. Alhaddad ◽  
O. Pagès ◽  
V. J. B. Torres ◽  
A. V. Postnikov ◽  
...  
Keyword(s):  
Ab Initio ◽  
Mixed Crystals ◽  
Exceptional Point ◽  
Phonon Coupling ◽  
X Ray Diffraction ◽  
X Ray ◽  
Point Versus ◽  
Raman Study ◽  
Effective Transfer

Abstract Raman scattering and ab initio Raman/phonon calculations, supported by X-ray diffraction, are combined to study the vibrational properties of Zn1-xBexTe under pressure. The dependence of the Be-Te (distinct) and Zn-Te (compact) Raman doublets that distinguish between Be- and Zn-like environments is examined within the percolation model with special attention to x~(0,1). The Be-like environment hardens faster than the Zn-like one under pressure, resulting in the two sub-modes per doublet getting closer and mechanically coupled. When a bond is so dominant that it forms a matrix-like continuum, its two submodes freely couple on crossing at the resonance, with an effective transfer of oscillator strength. Post resonance the two submodes stabilize into an inverted doublet shifted in block under pressure. When a bond achieves lower content and merely self-connects via (finite/infinite) treelike chains, the coupling is undermined by overdamping of the in-chain stretching until a phonon exceptional point is reached at the resonance. Only the out-of-chain vibrations "survive" the resonance, the in-chain ones are "killed". This picture is not bond-related, and hence presumably generic to mixed crystals of the closing-type under pressure (dominant over the opening-type), indicating a key role of the mesostructure in the pressure dependence of phonons in mixed crystals.

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

Role of the Structure and Electronic Properties of Fe2O3-MoO3 Catalyst on the Dehydration of Isopropyl Alcohol

1993 ◽  
Vol 58 (7) ◽  
pp. 1591-1599 ◽  
Author(s):  
Abd El-Aziz A. Said
Keyword(s):  
Active Sites ◽  
Isopropyl Alcohol ◽  
Oxide Catalyst ◽  
Flow System ◽  
Charge Carriers ◽  
X Ray Diffraction ◽  
X Ray ◽  
Catalyst Composition ◽  
Surface Active

Molybdenum oxide catalyst doped or mixed with (1 - 50) mole % Fe3+ ions were prepared. The structure of the original samples and the samples calcined at 400 °C were characterized using DTA, X-ray diffraction and IR spectra. Measurements of the electrical conductivity of calcined samples with and without isopropyl alcohol revealed that the conductance increases on increasing the content of Fe3+ ions up to 50 mole %. The activation energies of charge carriers were determined in presence and absence of the alcohol. The catalytic dehydration of isopropyl alcohol was carried out at 250 °C using a flow system. The results obtained showed that the doped or mixed catalysts are active and selective towards propene formation. However, the catalyst containing 40 mole % Fe3+ ions exhibited the highest activity and selectivity. Correlations were attempted to the catalyst composition with their electronic and catalytic properties. Probable mechanism for the dehydration process is proposed in terms of surface active sites.

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