The hydrosodalite system Na6+x[SiAlO4]6(OH)x.cntdot.nH2O: formation, phase composition, and de- and rehydration studied by 1H, 23Na, and 29Si MAS-NMR spectroscopy in tandem with thermal analysis, x-ray diffraction, and IR spectroscopy

1992 ◽  
Vol 114 (4) ◽  
pp. 1173-1182 ◽  
Author(s):  
Guenter Engelhardt ◽  
Juergen Felsche ◽  
Peter Sieger
Keyword(s):  
Thermal Analysis ◽  
Phase Composition ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Mas Nmr ◽  
29Si Mas Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Formation Phase

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.

Interlayer complexes of lanthanide-montmorillonites with amines

Clay Minerals ◽  
1982 ◽  
Vol 17 (2) ◽  
pp. 201-208 ◽  
Author(s):  
S. Bruque ◽  
L. Moreno-Real ◽  
T. Mozas ◽  
A. Rodriguez-Garcia
Keyword(s):  
Thermal Analysis ◽  
Differential Thermal Analysis ◽  
Ir Spectroscopy ◽  
Amine Group ◽  
X Ray Diffraction ◽  
X Ray

AbstractSorption interlayer complexes of n-butylamine, sec-butylamine, iso-butylamine and diethylamine with homoionic Ln-montmorillonites (Ln = La, Sm, Gd, Er, Y) have been prepared. Compositions of the complexes are of the type: [Ln(butylamine)4]3+ and [Ln-(diethylamine)2]3+. The disposition of amine molecules surrounding the ion, the interaction between the amine group and the Ln3+ ion, and the strength of the ion-dipole bond have been studied by X-ray diffraction, IR spectroscopy and differential thermal analysis.

Polypeptide Adsorption on a Synthetic Montmorillonite: A Combined Solid-State NMR Spectroscopy, X-ray Diffraction, Thermal Analysis and N2 Adsorption Study

2003 ◽  
Vol 2003 (7) ◽  
pp. 1366-1372 ◽  
Author(s):  
Régis D. Gougeon ◽  
Michel Soulard ◽  
Marc Reinholdt ◽  
Jocelyne Miehé-Brendlé ◽  
Jean-Michel Chézeau ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
N2 Adsorption ◽  
Adsorption Study ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Hydrothermal growth and characterization of NaLa(WO4)2 crystals

1996 ◽  
Vol 11 (11) ◽  
pp. 2869-2875 ◽  
Author(s):  
K. Byrappa ◽  
Amita Jain
Keyword(s):  
Thermal Analysis ◽  
Differential Thermal Analysis ◽  
Ir Spectroscopy ◽  
Hydrothermal Method ◽  
Crystal Morphology ◽  
Growth Parameters ◽  
Hydrothermal Growth ◽  
X Ray Diffraction ◽  
X Ray

The growth of NaLa(WO4)2 crystals has been carried out by the hydrothermal method at fairly low P-T conditions. The crystal morphology has been studied with respect to the growth parameters. The crystals obtained were characterized by various techniques such as x-ray diffraction (XRD), differential thermal analysis (DTA), and infrared (IR) spectroscopy.

Synthesis and Characterization of Tetrakis(pentafluoroethyl)germane

Synthesis ◽  
2017 ◽  
Vol 49 (11) ◽  
pp. 2389-2393 ◽  
Author(s):  
Stefanie Pelzer ◽  
Beate Neumann ◽  
Hans-Georg Stammler ◽  
Nikolai Ignat’ev ◽  
Reint Eujen ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Diffraction Analysis ◽  
Spectroscopic Characterization ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Comprehensive Characterization

This paper describes the synthesis and comprehensive characterization of tetrakis(pentafluoroethyl)germane. In addition to a complete NMR spectroscopic characterization, including the rarely used 73Ge NMR spectroscopy, Ge(C2F5)4 was studied by IR spectroscopy, mass spectrometry as well as X-ray diffraction analysis. A 73Ge NMR investigation as well as an X-ray diffraction study of the related germane Ge(CF3)4 are also included.

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