Synthesis, x-ray structural analysis, and thermal decomposition of the platinum(II) carboxylic acid (hydroxycarbonyl) trans-Pt(CO2H)(C6H5)(PEt3)2. Formation of a diplatinum(II) complex containing carbon dioxide

1988 ◽  
Vol 110 (21) ◽  
pp. 7098-7105 ◽  
Author(s):  
Martin A. Bennett ◽  
Glen B. Robertson ◽  
Andrzej. Rokicki ◽  
Wasantha A. Wickramasinghe
Keyword(s):  
Carbon Dioxide ◽  
Thermal Decomposition ◽  
Structural Analysis ◽  
Carboxylic Acid ◽  
X Ray

A Series of Enthalpy/Entropy-Driven Reversible Dissolution/Reorganization Equilibriums in the System of Cu(NO3)2–HL–GdX3–H2O (HL=5-methylpyrazine-2-carboxylic acid; X=Cl, Br, NO3, ClO4)

2014 ◽  
Vol 67 (11) ◽  
pp. 1679
Author(s):  
Sheng Zhang ◽  
Qi Yang ◽  
Xiangyu Liu ◽  
Gang Xie ◽  
Qing Wei ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Magnetic Property ◽  
Structural Analysis ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Coordination Polymers ◽  
X Ray Diffraction ◽  
X Ray ◽  
2D Network ◽  
Thermal Stability Of

Five coordination polymers, [Cu(L)2]n (1), {[Cu(L)(Cl)(H2O)]·H2O}2n (2), [KCu(L)(μ-Cl)2]n (3), [Cu(L)(Br)H2O]n (4), and {[Cu0.5(HL)(H2O)](NO3)·H2O}2n (5) (HL = 5-methylpyrazine-2-carboxylic acid) were obtained by reactions of a pyramidal CuII-containing ligand, {[Cu(L)2(H2O)]·3H2O}n (LCu), with Gd(ClO4)3·6H2O, GdCl3·6H2O, GdCl3·6H2O/KCl, GdBr3·6H2O, or Gd(NO3)3·6H2O in water. Structural analysis reveals that the structures of these compounds range from a 0D block to a 2D network with modification of the environment of the CuII ions compared with LCu. Interestingly, there occurred a series of reversible dissolution/reorganization equilibriums between the initial reactants and the final products 1–5, which were determined as enthalpy/entropy driven chemical equilibriums by single crystal X-ray diffraction and microcalorimetry. In addition, the thermal stability of 1–4 and the magnetic property of 2 are discussed.

13C N.M.R. and Single-Crystal X-Ray Structural Investigation of the Fluoroquinolone Antimicrobial Drug Norfloxacin 2DCl.D2O

1994 ◽  
Vol 47 (5) ◽  
pp. 799 ◽  
Author(s):  
SC Wallis ◽  
LR Gahan ◽  
BG Charles ◽  
TW Hambley
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Carboxylic Acid ◽  
Carbon Atom ◽  
Oxygen Atom ◽  
Single Crystal ◽  
Structural Investigation ◽  
Monoclinic Space Group ◽  
Piperazine Ring ◽  
X Ray

The sites of deuteronation of the molecule norfloxacin.2DCl.D2O have been investigated by 13C n.m.r. and a single-crystal structure determination. The 13C n.m.r. spectrum of norfloxacin (3 M DCl ) displays 14 lines, seven of which display 19F-13C coupling. The observation of 19F-13C coupling for the resonance at 171.0 ppm (J 3.9 Hz) allows positive assignment of this resonance to the keto carbon atom. The position of this resonance was found to be sensitive to [D+]. The crystals of norfloxacin.2DCl.D2O are monoclinic, space group P21/c, with a 8.536(2), b 14.379(3), c 14.985(4) Ǻ, β 93.40(2)°, V 1836.0(7) Ǻ3, and Z = 4. The structure was refined to R 0.039 and Rw 0.041. The n.m.r. study, combined with the structural analysis permits assignment of the sites of deuteronation for this molecule as an oxygen of the carboxylic acid, the external nitrogen of the piperazine ring and the keto oxygen atom.

scholarly journals Extra-Framework Content in Sodalite-Group Minerals: Complexity and New Aspects of Its Study Using Infrared and Raman Spectroscopy

Minerals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 363 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Marina F. Vigasina ◽  
Natalia V. Zubkova ◽  
Igor V. Pekov ◽  
Christof Schäfer ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Raman Spectroscopy ◽  
Structural Analysis ◽  
Ir Spectroscopy ◽  
Quantitative Method ◽  
Fluoride Anion ◽  
Spectroscopy Data ◽  
Group Mineral ◽  
X Ray ◽  
Infrared And Raman Spectroscopy

Nine samples of carbonate-free sodalite-group minerals, including those with abnormally high contents of polysulfide groups, fluoride anion and carbon dioxide molecules as well as synthetic fluoraluminate sodalite-type compound Na8(Si7Al5O24)(AlF6)3–·5H2O, have been studied by means of electron microprobe analyses, infrared and Raman spectroscopy; the CO2 content was determined using the selective sorption of gaseous ignition products. This article describes a semi-quantitative method for estimating the content of carbon dioxide molecules in these minerals, based on IR spectroscopy data. The data obtained demonstrate the existence of a sulfide sodalite-group mineral with the idealized formula Na7(Si6Al6O24)(S3−)·H2O, which differs significantly from the formula Na6Ca2(Si6Al6O24)S2–2 accepted for lazurite. According to single-crystal X-ray structural analysis, in the F-rich sodalite-group mineral from the Eifel paleovolcanic region, Germany with the idealized formula Na7(Si6Al6O24)F−·nH2O fluorine occurs as an isolated F− anion, unlike synthetic F-rich sodalite-type compounds.

Structural investigation of co-evaporated methyl ammonium lead halide perovskite films during growth and thermal decomposition using different PbX2 (X = I, Cl) precursors

2015 ◽  
Vol 3 (39) ◽  
pp. 19842-19849 ◽  
Author(s):  
Juliane Borchert ◽  
Heidi Boht ◽  
Wolfgang Fränzel ◽  
René Csuk ◽  
Roland Scheer ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Structural Analysis ◽  
Structural Investigation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Detailed Structural Analysis ◽  
Halide Perovskite ◽  
Lead Halide

Here we present a detailed structural analysis of methylammonium lead halide (I, Cl) films by in situ X-ray diffraction during their growth and thermal recrystallization up to their decomposition.

scholarly journals Thermodynamic aspect of sodium carbonate mechanical transformations under different environment

2020 ◽  
Vol 52 (4) ◽  
pp. 433-444
Author(s):  
Natasa Djordjevic ◽  
Slavica Mihajlovic ◽  
Aleksandra Pataric
Keyword(s):  
Carbon Dioxide ◽  
Structural Analysis ◽  
Mechanical Activation ◽  
Sodium Carbonate ◽  
Room Temperature ◽  
Chemical Characteristics ◽  
Activation Time ◽  
X Ray ◽  
Physico Chemical ◽  
The Subject

During mechanical activation, the energy of treated material is raised to a higher level that can lead to the chemical transformation of the activated material. This is the point that should be considered as a phenomenon of the mechanochemical transformations appearing as a result of mechanical activation. Sodium carbonate as a substance that is often subjected to mechanochemical synthesis was mechanically activated in this study. The subject was the monitoring of changes in the physico-chemical characteristics of sodium carbonate after exposure to different degrees of activation time within the range of 1-28 minutes. After activation, the samples were deposited in three environments, CO2, air, and vacuum, at room temperature, in a period of 64 days. The mass changes occurring during the treatment were measured depending on the processing environment. Increasing the mass was evident and was attributed to the chemisorption of moisture and carbon dioxide present in the air as a consequence of the sodium carbonate activation. The methods also used were calcimetric chemical analysis and X-ray structural analysis. According to obtained results, it was found that activated sodium carbonate is mass-transformed into sodium bicarbonate, whereby these changes are functionally dependent on activation time and the processing environment.

scholarly journals Synthesis, structure, thermal decomposition and spectral properties of neutral [Fe(bpta)2(etOH)2(NCS)2]

2015 ◽  
Vol 8 (1) ◽  
pp. 78-85
Author(s):  
Zuzana Lukačovičová ◽  
Róbert Uhrecký ◽  
Ján Moncoľ ◽  
Darina Lackováa ◽  
Iveta Ondrejkovičová ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Infrared Spectroscopy ◽  
Structural Analysis ◽  
Spectral Properties ◽  
Ethanol Solution ◽  
Single Crystal Diffraction ◽  
Triclinic Space Group ◽  
X Ray

Abstract The new iron(II) complex [Fe(bpta)2(EtOH)2(NCS)2] (bpta = 3,3’-(1,2,4-thiadiazole-3,5-diyl) dipyridine; EtOH = ethanol) has been prepared by refluxing Fe(NCS)3 or Fe(NCS)2 with thionicotinamide in an ethanol solution and characterized by elemental analysis, infrared spectroscopy, thermal decomposition and X-ray structural analysis. The characterized compound is a mixture of three regioisomers resulting from differential coordination by the 3- and 5-position 2-pyridyl groups. The bpta ligand was generated in situ by the oxidation dimerization of thionicotinamide. X-ray single-crystal diffraction revealed that the crystal structure is centrosymmetric and the complex crystallizes in the triclinic space group P-1. The iron(II) atom lies in the centre of symmetry and it is octahedrally coordinated by two nitrogen atoms from two thiocyanate anions and two oxygen atoms from ethanol molecules in the equatorial plane and two nitrogen atoms of pyridine rings from two bpta ligands in the axial positions. This complex represents the second example of metal complex with bpta.

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