scholarly journals X-Ray Diffraction and Vibrational Spectroscopic Characteristics of Hydroxylclinohumite from Ruby-Bearing Marbles (Luc Yen District, Vietnam)

2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
V. Hurai ◽  
M. Wierzbicka-Wieczorek ◽  
M. Pentrák ◽  
M. Huraiová ◽  
R. Thomas ◽  
...  
Keyword(s):  
Low Frequency ◽  
Bond Distance ◽  
Structural Formula ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Stretching Vibration ◽  
Bending Modes ◽  
Ti Substitution

A honey-yellow hydroxylclinohumite from ruby-bearing marbles of the Luc Yen district in northern Vietnam was characterized by electron microprobe (EPMA), single-crystal X-ray diffraction (XRD), micro-Raman, and Fourier-transform infrared (FTIR) spectroscopy. The studied crystals correspond to nearly ideal clinohumite with the structural formula 4[Mg2SiO4]·[(Mg,Fe,Ti)(OH,F)2] and roughly equal F and OH proportions. Crystal structure analysis showed Ti substitution for Mg only at the Mg3 site. A Fourier-difference map revealed one hydrogen site associated with ninth oxygen atom. The calculated O–H bond distance was shorter than that in other natural clinohumites. FTIR revealed bands corresponding to combination of OH-stretching with Mg–OH and/or Fe–OH bending modes, combinations of OH− and Fe–OH vibrations, combination of fundamental bands of the Si–OH bonding, combination of OH− and Si–OH vibrations, and first (2νOH) and the second (3νOH) overtones of the OH-stretching vibration mode. Two groups of OH-stretching vibration and FTIR absorption bands at 3390–3420 cm−1 and 3560–3580 cm−1 show reversible temperature-dependent shift. The low-frequency bands absent in pure synthetic hydroxylclinohumites are assigned to OH-planar defects caused by Ti-for-Mg substitution.

Synthesis, Crystal Structure and Fluorescence Spectrum Studies of Bromocoumarin Derivants: C10H5Br3O and C12H9BrO4

2012 ◽  
Vol 455-456 ◽  
pp. 746-751
Author(s):  
Ying Wang ◽  
Peng Liu ◽  
Xue Long Li ◽  
Jia Jun Fu
Keyword(s):  
Thermal Analyses ◽  
Bond Distance ◽  
Structural Data ◽  
Lattice Parameters ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Compound A ◽  
Space Group ◽  
X Ray ◽  
Stretching Vibration

The3,6,8-tribromo-7-hydroxy-4-methylcoumarin (a) and 7-acetoxy-4-bromomethyl coumarin (b) have been prepared and characterized by IR and NMR spectum, and thermal analyses. The crystal and molecular structures of them were determined by X-ray diffraction methods. The compound (a) crystallizes in Orthorhobmic system, space group Pbca, with lattice parameters a = 8.3346(9), b =16.2420(19), c =16.726(2) Å, α=β=γ=90°, Mr= 412.87, V = 2264.2(5) Å3, Z = 8, Dc= 2.422 g/cm3, F(000) = 1552, R = 0.0575 and wR = 0.0817. The compound (b) crystallizes in Triclinic system, space group P-1, with lattice parameters a = 7.6540(15), b = 7.6880(15), c = 10.654(2) Å, α = 101.49(3), β = 98.32(3), γ = 103.68(3)°, Mr = 297.10, V = 584.7(2) Å3, Z = 2, Dc = 1.688 g/cm3, F(000) = 296, R = 0.0578 and wR = 0.1353. In the (a) structure, The three Br-C bond distances are in the range of 1.870(8) ~ 1.894(6) Å. In the (b) structure, The Br-C bond distance is 1.956 (6) Å. The IR spectral data are in agreement with the structural data. The band at 577 cm-1 , 582cm-1 in the compound (a) and (b) could be assigned to the vC-Br stretching vibration. Because of the hydrogen bonds and π-π stacking between 1,2-benzopyrone rings and 1,2-benzopyrone rings of the adjacent molecule. The title compound also shows good fluorescent behaviors.

Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data

2021 ◽  
Author(s):  
Anna Agnieszka Hoser ◽  
Marcin Sztylko ◽  
Damian Trzybiński ◽  
Anders Østergaard Madsen
Keyword(s):  
Thermodynamic Properties ◽  
Dft Calculations ◽  
Diffraction Data ◽  
Molecular Crystals ◽  
Low Frequency ◽  
X Ray Diffraction ◽  
X Ray ◽  
Efficient Approach

A framework for estimation of thermodynamic properties for molecular crystals via refinement of frequencies from DFT calculations against X-ray diffraction data is presented. The framework provides an efficient approach to...

Darstellung, 11B-, 13C-, 29Si-NMR- und Schwingungsspektren von Trimethylsilylmethyl-hexahydro-closo-hexaborat, [B6H6(CH2Si(CH3)3)]- sowie Kristallstruktur von [P(C6H5)4][B6H6(CH2Si(CH3)3)] / Preparation, 11B, 13C, 29Si NMR and Vibrational Spectra of Trimethylsilylmethyl-hexahydro-clo-hexaborate, [B6H6(CH2Si(CH 3)3)]-and the Crystal Structure of [P(C6H5)4] [B6H6(CH2Si(CH3)3)]

1995 ◽  
Vol 50 (7) ◽  
pp. 1025-1029 ◽  
Author(s):  
J. Baurmeister ◽  
A. Franken ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
29Si Nmr ◽  
X Ray Diffraction ◽  
Nmr Spectrum ◽  
X Ray ◽  
Quadrupole Coupling ◽  
Stretching Vibration ◽  
Ir And Raman ◽  
C Nmr

By reaction of [N(C4H9 )4]2 [B6H6] with iodomethyl-trimethylsilane in acetonitrile a solution with trimethylsilylm ethyl-closo-hexaborate(1-)anions, [B6H6 (CH2Si(CH3)3)]-, is formed. The crystal structure of [P(C6H5 )4][B6H6(CH2Si(CH3)3)] has been determined by single crystal X-ray diffraction analysis; monoclinic, space group P21/n with a = 16.140(2), b = 11.646(8), c = 16.731(3) Å, β 109.664(11)°. The 11B NMR spectrum reveals features of a mono hetero substituted octahedral B6 cage. The 13C NMR spectrum exhibits a quartet at +0.18 ppm with 1J(C,H) = 118 Hz for the three methyl groups and a weak multiplet at -0.65 ppm for the methylene bridge due to quadrupole coupling with the boron atoms. In the 29Si NMR spectrum a decet at +2.25 ppm with 2J(C,H ) = 6.9 Hz is observed. The B -C stretching vibration is observed at 1155 cm-1 in the IR and Raman spectrum.

scholarly journals Influence of Li2CO3 addition on electrical and magnetic properties of Ni0.6Mg0.4Fe2O4

2020 ◽  
Vol 10 (03) ◽  
pp. 2050003
Author(s):  
M. R. Hassan ◽  
M. T. Islam ◽  
M. N. I. Khan
Keyword(s):  
Magnetic Properties ◽  
Single Phase ◽  
Low Frequency ◽  
Solid State Reaction Method ◽  
Charge Carriers ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electrical And Magnetic Properties ◽  
Frequency Regime ◽  
Xrd Patterns

In this research, influence of adding Li2CO3 (at 0%, 2%, 4%, 6%) on electrical and magnetic properties of [Formula: see text][Formula: see text]Fe2O4 (with 60% Ni and 40% Mg) ferrite has been studied. The samples are prepared by solid state reaction method and sintered at 1300∘C for 6[Formula: see text]h. X-ray diffraction (XRD) patterns show the samples belong to single-phase cubic structure without any impurity phase. The magnetic properties (saturation magnetization and coercivity) of the samples have been investigated by VSM and found that the higher concentration of Li2CO3 reduces the hysteresis loss. DC resistivity increases with Li2CO3 contents whereas it decreases initially and then becomes constant at lower value with temperature which indicates that the studied samples are semiconductor. The dielectric dispersion occurs at a low-frequency regime and the loss peaks are formed in a higher frequency regime, which are due to the presence of resonance between applied frequency and hopping frequency of charge carriers. Notably, the loss peaks are shifted to the lower frequency with Li2CO3 additions.

Synthesis of Galactomannan Sulfate-Citrate

2022 ◽  
Vol 1049 ◽  
pp. 218-223
Author(s):  
Aleksandr S. Kazachenko ◽  
Yuriy N. Malyar ◽  
Anna S. Kazachenko
Keyword(s):  
Biological Activity ◽  
Ftir Spectroscopy ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Mixed Ester ◽  
First Time ◽  
Derivatives Of

Sulfated derivatives of polysaccharides have anticoagulant, hypolipedimic and other biological activity. In this work, a complex mixed ester of galactomannan, its sulfate-citrate, was obtained for the first time. The introduction of citrate and sulfate groups was proved by FTIR spectroscopy by the appearance of corresponding absorption bands. It was shown by X-ray diffraction that the introduction of the citrate group leads to the amorphization of the galactomannan structure.

Chemical Synthesis and Properties of Layered Co1-yNiyO2-δOxides (0≤y≤1)

2000 ◽  
Vol 658 ◽  
Author(s):  
A. Manthiram ◽  
R. V. Chebiam ◽  
F. Prado
Keyword(s):  
Layer Structure ◽  
Magnetic Data ◽  
Chemical Analyses ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Ni Content ◽  
Wet Chemical ◽  
Oxide Ions ◽  
Structure Layer

ABSTRACTLayered Co1-yNiyO2-δ oxides with 0≤y≤1 have been synthesized by chemically extracting lithium from LiNi1-yCoyO2 with NO2PF6 at ambient temperature. The samples have been characterized by X-ray diffraction, wet-chemical analyses, infrared spectroscopy, and magnetic susceptibility measurements. While NiO2-δ retains the initial O3 (CdCl2 structure) layer structure of LiNiO2, CoO2-δ consists of a mixture of P3 and O1 (CdI2 structure) phases that are formed by a sliding of the oxide ions in the initial O3 structure. CoO2-δ and NiO2-δ have oxygen contents of, respectively, 1.67 and 1.95 and the oxygen content increases with increasing Ni content, y, in Co1-yNiyO2-δ. While CoO2-δ exhibits metallic conductivity as revealed by theabsence of absorption bands in the infrared spectrum, NiO2-δ exhibits semiconducting behavior due to a completely filled t2g band. Magnetic data reveal a transition from antiferromagnetic to ferromagnetic correlations as the Ni content in Co1-yNiyO2-δ increases.

Investigations on Cu2+-substituted Ni–Zn ferrite nanoparticles

2016 ◽  
Vol 30 (32n33) ◽  
pp. 1650347
Author(s):  
Amarjeet ◽  
Vinod Kumar
Keyword(s):  
Spinel Phase ◽  
Thermo Gravimetric Analysis ◽  
Peak Position ◽  
Precipitation Method ◽  
Gravimetric Analysis ◽  
Frequency Range ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Zn Ferrite

[Formula: see text] ([Formula: see text] = 0.1, 0.3 and 0.5) nanoparticles were prepared by chemical co-precipitation method. The developed nanoparticles were characterized for structural properties by powder X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) techniques. Peak position in the X-ray diffraction pattern confirmed the single spinel phase of the developed particles. Infrared (IR) spectroscopy in mid-IR range showed the presence of characteristic absorption bands corresponding to octahedral and tetrahedral bonds in the spinel structure of prepared samples. Thermo-gravimetric analysis (TGA) measurements showed a considerable weight loss in the developed samples above 700[Formula: see text]C. Frequency dependence of the electrical properties of the developed material pellets was studied in the frequency range of 1 kHz–5 MHz. Temperature dependence of the dielectric constant of [Formula: see text] was studied at different temperatures, i.e. at 425, 450 and 475 K, in the frequency range of 1 kHz–5 MHz. It was found that the electrical conductivity decreases with increasing Cu[Formula: see text] ion content while it increases with the increase in temperature.

Investigation of Ti Doping on the Structural, Optical and Magnetic Properties of ZnO Nanoparticles

2021 ◽  
Author(s):  
Raji P ◽  
K Balachandra Kumar
Keyword(s):  
Hexagonal Wurtzite Structure ◽  
Xrd Analysis ◽  
Infrared Analysis ◽  
Near Band Edge ◽  
Band Edge Emission ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Co Precipitation ◽  
Ti Doping

Abstract Ti - doped ZnO (TixZn1-xO x= 0.00, 0.05, 0.10, 0.15) nanoparticles have been synthesized through co - precipitation approach. X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL), UV-Visible spectroscopy, and Vibrating Sample Magnetometer (VSM) have been used to characterize the samples. X-Ray Diffraction (XRD) analysis manifested the hexagonal wurtzite structure. The crystallite size decreased from 37 ​nm to 29 ​nm as dopant concentration is increased. Fourier transform infrared analysis showed the absorption bands of ZnO, with few within the intensities. SEM investigation showed the irregular shape and agglomeration of the particles. Ti, Zn, and O composition were determined from EDX analysis and confirmed the purity of the samples.PL spectra showed a near band edge emission and visible emission.Vibrating sample magnetometer (VSM) demonstrated pure and doped samples exhibited ferromagnetism behavior at room temperature.

Study on the phase structure and mechanical properties of (Ti,Al,Si)N coatings deposited by multiarc ion plating

2019 ◽  
Vol 34 (01n03) ◽  
pp. 2040043
Author(s):  
Mengchao Wang ◽  
Lijun Wang ◽  
Hui Chen ◽  
Yinfen Cheng
Keyword(s):  
Cross Sections ◽  
Phase Structure ◽  
Structural Formula ◽  
Columnar Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ion Plating ◽  
Substrate Adhesion ◽  
Scratch Tests ◽  
Angular Shift

Different structural [Formula: see text] coatings were designed and deposited on WC-Co cemented carbide by the technology of multiarc ion plating. Monolayered [Formula: see text] coating was deposited using cathode of [Formula: see text]. Multilayered (Ti,Al)N/[Formula: see text] coating and [Formula: see text] coating with gradual silicon content were deposited using two cathodes of [Formula: see text] and [Formula: see text] simultaneously. The surface and cross-section morphology, compositions, and phase structure were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The dense [Formula: see text] coatings with droplets on the surface and without obvious columnar structure on the cross-sections were obtained. All coatings had the strong peaks of (200) orientation. The different angular shift occurred with different combination of cathodes and processes. The introduction of multilayered and gradient structure effectively reduced the lattice distortion of coatings. Meanwhile, the coating-substrate adhesion strength increased from 38.57 N to 60.17 N with a coating thickness of approximately 3.5 [Formula: see text]m by scratch tests. The highest hardness of [Formula: see text] coating obtained in this paper were [Formula: see text] GPa by nanoindentation. The multilayered coating showed better toughness.

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