Stretched PEO–LiCF3SO3 films: Polarized IR spectroscopy and X-ray diffraction

2007 ◽  
Vol 53 (4) ◽  
pp. 1548-1555 ◽  
Author(s):  
Christopher M. Burba ◽  
Roger Frech ◽  
Brian Grady
Keyword(s):  
Ir Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Polarized Ir Spectroscopy

Hydrolytic products of Fe(III) after oxidation of Fe(II) by chlorate

1982 ◽  
Vol 47 (4) ◽  
pp. 1069-1077 ◽  
Author(s):  
Karel Mádlo ◽  
František Hanousek ◽  
Antonín Petřina ◽  
Jaroslav Tláskal
Keyword(s):  
Electron Microscopy ◽  
Ir Spectroscopy ◽  
Chemical Analysis ◽  
Ferrous Sulphate ◽  
Reaction Medium ◽  
Potassium Chlorate ◽  
X Ray Diffraction ◽  
X Ray

Ferrous sulphate was oxidized by potassium chlorate in the pH region 2-7 and at temperatures ranging from 298.1 to 323.1 K and various hydrolytic products of Fe(III) were separated and indentified. The separated solid ferric products were analyzed using a combination of the chemical analysis, IR spectroscopy, X-ray diffraction, and electron microscopy. The following substances were found as major components of the products: Fe2O3.n H2O ("ferric gel"), Fe2O3.n H2O with bound SO2-4 ions ("sulphogel"), α-FeO(OH), γ-FeO(OH) and Fe3O4. Their amount depends particularly on the pH temperature of the reaction medium.

scholarly journals High-pressure synthesis of REB5O8(OH)2 (RE = Ho, Er, Tm)

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Michael Zoller ◽  
Hubert Huppertz
Keyword(s):  
High Pressure ◽  
Rare Earth ◽  
Ir Spectroscopy ◽  
Earth Metal ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Solution ◽  
Pressure Synthesis ◽  
The Rare Earth

AbstractThe rare earth oxoborates REB5O8(OH)2 (RE = Ho, Er, Tm) were synthesized in a Walker-type multianvil apparatus at a pressure of 2.5 GPa and a temperature of 673 K. Single-crystal X-ray diffraction data provided the basis for the structure solution and refinement. The compounds crystallize in the monoclinic space group C2 (no. 5) and are composed of a layer-like structure containing dreier and sechser rings of corner sharing [BO4]5− tetrahedra. The rare earth metal cations are coordinated between two adjacent sechser rings. Further characterization was performed utilizing IR spectroscopy.

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.

New solvates and a salt of the anti-HIV compound etravirine

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Marieta Muresan-Pop ◽  
Sergiu Macavei ◽  
Alexandru Turza ◽  
Gheorghe Borodi
Keyword(s):  
Thermal Analysis ◽  
Ir Spectroscopy ◽  
Force Field ◽  
Single Crystal ◽  
Total Energy ◽  
Hirshfeld Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Energies ◽  
Anti Hiv

Four new solvates of the anti-HIV compound etravirine [systematic name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile, C20H15BrN6O] with dimethyl sulfoxide (C2H6OS, two distinct monosolvates), 1,4-dioxane (C4H8O2, the 0.75-solvate) and N,N-dimethylacetamide (C4H9NO, the monosolvate), which exhibit conversion to the same anhydrous etravirine phase upon desolvation, and a stable etravirinium oxalate salt {6-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate, C20H16BrN6O+·0.5C2O4 2−} were obtained. The crystal structures were solved by single-crystal X-ray diffraction and analyzed by powder X-ray diffraction, and the intermolecular interactions were explored by Hirshfeld surface analysis. Lattice energies were evaluated using the atom–atom force field Coulomb–London–Pauli (AA CLP) approximation, which distributes the total energy as four separate contributions: Coulombic, polarization, dispersion and repulsion. The formation of the solvates and the oxalate salt was further characterized by thermal analysis and IR spectroscopy.

Structural Studies of Some o- and p-Nitrophenylcarbamates by IR Spectroscopy and X-Ray Diffraction

2008 ◽  
Vol 63 (12) ◽  
pp. 1402-1406
Author(s):  
Monika Simon ◽  
Carol Csunderlik ◽  
G. Jones
Keyword(s):  
Ir Spectroscopy ◽  
Crystal Structures ◽  
Ir Spectrum ◽  
Structural Studies ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray

N-Alkyl-o-nitrophenylcarbamates as solids present two carbonyl stretching bands in the region 1700 - 1800 cm−1 but similar N-alkyl-p-nitrophenylcarbamates have only one such band in the IR spectrum. In solution both kinds of carbamate present one carbonyl stretching band, but for the former, the splittings occur when the carbamates crystallize. Four crystal structures were analyzed by X-ray diffraction. The two ortho derivatives have more than one molecule in the asymmetric unit, which is consistent with the IR observations.

Evolution structurale de la nacrite en fonction de la nature des molécules organiques intercalees

2000 ◽  
Vol 33 (6) ◽  
pp. 1351-1359 ◽  
Author(s):  
A. Ben Haj Amara ◽  
H. Ben Rhaiem ◽  
A. Plançon
Keyword(s):  
Ir Spectroscopy ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Organic Molecules ◽  
Interlayer Space ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intercalated Compounds ◽  
Xrd Study ◽  
Intercalation Process

Nacrite has been intercalated with two polar organic molecules: dimethyl sulfoxide (DMSO) andN-methylacetamide (NMA). The homogeneous nacrite complexes have been studied by X-ray diffraction (XRD) and infrared (IR) spectroscopy. The XRD study is based on a comparison between experimental and calculated patterns. The structures of the intercalated compounds have been determined, including the mutual positions of the layers after intercalation and the positions of the intercalated molecules in the interlayer space. It has been shown that the intercalation process causes not only a swelling of the interlayer space but also a shift in the mutual in-plane positions of the layers. This shift depends on the nature of the intercalated molecules and is related to their shape and the hydrogen bonds which are established with the surrounding surfaces. For a given molecule, the intercalation process is the same for the different polytypes of the kaolinite family. These XRD results are consistent with those of IR spectroscopy.

scholarly journals CRYSTAL STRUCTURE OF BIS[1-(DIAMINOMETHYLENE)-THIOURON-1-IUM] SULFATE

2017 ◽  
Vol 60 (1) ◽  
pp. 45
Author(s):  
Yuliya V. Butina ◽  
Elena A. Danilova ◽  
Maxim V. Dmitriev ◽  
Aleksey V. Solomonov
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Diffraction Data ◽  
Crystalline State ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tautomeric Forms ◽  
Structural Database ◽  
Derivatives Of

For citation:Butina Yu.V., Danilova E.A., Dmitriev M.V., Solomonov А.V. Crystal structure of bis[1-(diaminomethylene)-thiouron-1-ium] sulfate. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 1. P. 45-49. In this work crystal data of bis[1-(diaminomethylene)-thiouron-1-ium] sulfate is shown. This compound was characterized by IR spectroscopy and elemental analysis. The monocrystal of this compound was obtained and the structure was confirmed by single X-ray analysis. Moreover, the work describes potential application of synthesized compound. Comparative characteristics of thiourea and its known salts are demonstrated. It is known, that derivatives of thiourea have several tautomeric forms, which can be different in crystalline state or in solution. Therefore, changed scheme of the synthesis of 2-imino-4-thiobiuret is proposed. Elemental cell of crystal consists of two 1-(diaminomethylene)thiouron-1-ium cations and one sulfat anion. A full set of X-ray diffraction data was deposited in the Cambridge Structural Database (deposit CCDC 1421710) and it can be gotten from the site www.ccdc.cam.ac.uk/data_request/cif.

scholarly journals Synthesis and structure of macrocyclic dinickel(II) complex with 5-(4-pyridyl)tetrazolate as coligand

2021 ◽  
pp. 3-10
Author(s):  
Sergei V. Voitekhovich ◽  
Berthold Kersting ◽  
Oleg A. Ivashkevich
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Dinuclear Complex ◽  
X Ray Diffraction ◽  
X Ray

The dinuclear nickel(II) complex [Ni2LmClO4] + , where Lm represents a 24-membered macrocyclic hexaaza-dithiophenolate ligand, reacts with 5-(4-pyridyl)tetrazole (PyrCN4H) to give the dinuclear complex [Ni2Lm(PyrCN4)]+ . The new complex was both isolated as perchlorate or tetraphenylborate salts and characterised by elemental analysis and IR spectroscopy. The structure of [Ni2Lm(PyrCN4)]BPh4 ⋅ MeCN was determined by single crystal X-ray diffraction, showing that tetrazolate units are in a N2,N3-bridging mode to generate dioctahedral N3Ni(µ-S)2(µ-N4CPyr)NiN3 core.

scholarly journals The Bio-fabrication of Gold Nanoparticles (AuNPs) by Green Method and Study of its Electrochemical Applications

2020 ◽  
Vol 1 (4) ◽  
pp. 22-25
Author(s):  
Azwan Morni
Keyword(s):  
Gold Nanoparticles ◽  
Ir Spectroscopy ◽  
Face Centered Cubic ◽  
X Ray Diffraction ◽  
Green Method ◽  
Oh Groups ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

This study reports a green method for the synthesis of gold nanoparticles (AuNPs) using the aqueous extract of Salix aegyptiaca extract. The effects of gold salt concentration, extract concentration and extract quantity were investigated on nanoparticles synthesis. Novel methods of ideally synthesizing AuNPs are thus thought that are formed at ambient temperatures, neutral pH, low costs and environmentally friendly fashion. AuNPs were characterized with different techniques such as UV–vis spectroscopy, FT-IR spectroscopy, X-ray diffraction, and TEM. FT-IR spectroscopy revealed that gold nanoparticles were functionalized with biomolecules that have primary carbonyl group, -OH groups and other stabilizing functional groups. TEM experiments showed that these nanoparticles are formed with various shapes and X-ray diffraction pattern showed high purity and face centered cubic structure of AuNPs. For electrochemical properties of AuNPs, a modified glassy carbon electrode using AuNPs (AuNPs/GCE) was investigated. The results show that electronic transmission rate between the modified electrode and [Fe (CN)6]3-/4- increased.

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