Vibrational study and spectra-structure correlations in magnesium disaccharinate heptahydrate, Mg(sac)2⋅7H2O

2008 ◽  
Vol 27 (1) ◽  
pp. 1
Author(s):  
Gligor Jovanovski ◽  
Petre Makreski ◽  
Bojan Šoptrajanov
Keyword(s):  
Experimental Data ◽  
Raman Spectrum ◽  
The Other ◽  
Water Molecules ◽  
Carbonyl Groups ◽  
Structural Units ◽  
Vibrational Study ◽  
Structure Correlations ◽  
Stretching Vibrations ◽  
Ir Bands

Infrared and Raman vibrational spectra of magnesium disaccharinate heptahydrate, Mg(sac)2⋅7H2O, in the 4000–380 cm–1 region (for infrared) and 4000–100 cm–1 region (for Raman) were studied. The assignment of the spectra was based on the experimental data for the previously studied metal saccharinates as well as the literature data for the ab initio calculations on the free deprotonated saccharinato species. Special attention was paid to the analysis of the H2O, CO and SO2 stretching modes. The spectral picture in the regions of the water, carbonyl and sulfonyl stretches is correlated with the number of the crystallographically determined non-equivalent H2O, CO and SO2 structural units. It was found that the presence of seven crystallographically different water molecules in the structure (fourteen different Ow⋅⋅⋅O and Ow⋅⋅⋅N distances) is not reflected in the appearance of the expected fourteen IR bands in the region of the OD stretching vibrations of the isotopically isolated HDO molecules. This must be due to the existence in the structure of several Ow⋅⋅⋅O or Ow⋅⋅⋅N hydrogen bonds with very similar strengths causing an overlap of the corresponding bands in the spectrum. Despite the presence of two carbonyl groups with practically identical C–O distances [124.2(3) and 124.0(3) pm], two clearly separated bands are registered in the carbonyl stretching region of the IR (1660 and 1627 cm–1) and Raman spectrum (1648 and 1620 cm–1). On the other hand, although two nonequivalent SO2 groups are present in the structure of Mg(sac)2⋅7H2O, only one pair of bands due to SO2 stretchings [νas(SO2 and νs(SO2) modes] is registered in the IR spectrum.

The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8.6H2O

1988 ◽  
Vol 52 (365) ◽  
pp. 247-255 ◽  
Author(s):  
Stefano Merlino
Keyword(s):  
Crystal Structure ◽  
The Other ◽  
Water Molecules ◽  
Charge Balance ◽  
Alkali Cations ◽  
Structural Units ◽  
Tetrahedral Sheet ◽  
Space Group

AbstractThe crystal structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8.6H2O, Z = 1, was refined in the space group P, a = 9.765, c = 19.067Å, to R = 0.064 for 1540 reflections. The structure is composed of the following structural units: (a) tetrahedral sheets S1, with composition (Si8O20)8−, characterized by six-membered rings of tetrahedra; (b) tetrahedral sheets S2, characterized by six-membered rings of tetrahedra, with six tetrahedra pointing in one direction and two pointing in the other direction—the apical oxygens of these two tetrahedra connect two inversion-related S2 sheets to build double sheets, with composition (Si14Al2O38)14− and ordered distribution of aluminum cations; (c) sheets O of edge-sharing calcium octahedra. The various structural units are connected through corner sharing according to the schematic sequence ……; the corresponding composition is [Ca14Si22Al2O58(OH)8]2−. The charge balance is restored by alkali cations which are placed, together with water molecules, in the cavities of the structure at the level of the double tetrahedral sheet.

Raman and infrared spectroscopic study of the vivianite-group phosphates vivianite, baricite and bobierrite

2002 ◽  
Vol 66 (6) ◽  
pp. 1063-1073 ◽  
Author(s):  
R. L. Frost ◽  
W. Martens ◽  
P. A. Williams ◽  
J. T. Kloprogge
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Water Molecules ◽  
Infrared Spectroscopic Study ◽  
Tetrahedral Symmetry ◽  
Phosphate Anions ◽  
Stretching Vibrations ◽  
Bending Modes ◽  
Ir Bands ◽  
Hydrogen Bonded

Abstract The molecular structure of the three vivianite-structure, compositionally related phosphate minerals vivianite, baricite and bobierrite of formula M32+(PO4)2.8H2O where M is Fe or Mg, has been assessed using a combination of Raman and infrared (IR) spectroscopy. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 3460, 3281, 3104 and 3012 cm−1 for vivianite. The high wavenumber band is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH-bending modes where a strong IR band centred around 1660 cm−1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH-bending bands fromstrongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. The Raman phosphate PO-stretching region shows strong similarity between the three minerals. In the IR spectra, complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong IR bands around 800 cm−1 are attributed to water librational modes. The spectra of the three minerals display similarities due to their compositions and crystal structures, but sufficient subtle differences exist for the spectra to be useful in distinguishing the species.

scholarly journals Two and three pseudoscalar production in e+e− annihilation and their contributions to (g − 2)μ

2021 ◽  
Vol 2021 (3) ◽  
Author(s):  
Wen Qin ◽  
Ling-Yun Dai ◽  
Jorge Portolés
Keyword(s):  
Experimental Data ◽  
Theoretical Prediction ◽  
Pseudoscalar Meson ◽  
Magnetic Moment ◽  
Anomalous Magnetic Moment ◽  
Vacuum Polarization ◽  
Meson Production ◽  
The Other ◽  
Joint Analysis ◽  
The Standard Model

Abstract A coherent study of e+e− annihilation into two (π+π−, K+K−) and three (π+π−π0, π+π−η) pseudoscalar meson production is carried out within the framework of resonance chiral theory in energy region E ≲ 2 GeV. The work of [L.Y. Dai, J. Portolés, and O. Shekhovtsova, Phys. Rev. D88 (2013) 056001] is revisited with the latest experimental data and a joint analysis of two pseudoscalar meson production. Hence, we evaluate the lowest order hadronic vacuum polarization contributions of those two and three pseudoscalar processes to the anomalous magnetic moment of the muon. We also estimate some higher-order additions led by the same hadronic vacuum polarization. Combined with the other contributions from the standard model, the theoretical prediction differs still by (21.6 ± 7.4) × 10−10 (2.9σ) from the experimental value.

Stereospecific Association of C-20 Epimers of 3β-Hydroxy-16-oxo-24-nor-17-azachol-5-eno-23-nitryle

1997 ◽  
Vol 52 (6) ◽  
pp. 749-756
Author(s):  
Zofia Plesnar ◽  
Stanisław Malanowski ◽  
Zenon Lotowski ◽  
Jacek W. Morzycki ◽  
Jadwiga Frelek ◽  
...  
Keyword(s):  
Proton Nuclear Magnetic Resonance ◽  
Side Chain ◽  
Water Molecules ◽  
Carbonyl Groups ◽  
Nmr Data ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Lactam Carbonyl ◽  
Self Association ◽  
Chain Conformations

Abstract The cryoscopic measurements show that title compounds are strongly associated in CHCl3 solutions. The association of the 20 R epimer is distinctly less pronounced than that of the 20 S epipmer. Self-association of the 20 S epimer leads to the formation of very large com­plexes. The 20 R epimer forms associates via water molecules. The dissimilarity may be ex­plained in terms of different accessibility of the lactam carbonyl groups in the two epimers for the association. It is proposed that the association process is controlled by the configura­tion at the carbon atom C(20) and conformation around the C(20)-C(22) bond. Populations of side chain conformations of both epimers were determined by means of proton nuclear magnetic resonance. It was found for the 20 R epimer that the t and the -g rotamers are almost equally populated, and the rotamer +g is excluded. For the 20 S epimer the +g rotamer predominates over the t one, and the -g rotamer is excluded. The NMR data are fully consistent with the results of the molecular modelling studies.

APPLICATION OF A NEW HAMILTONIAN OF INTERACTION TO THREE-DIMENSIONAL STRUCTURES

2004 ◽  
Vol 18 (09) ◽  
pp. 1351-1368
Author(s):  
ANDREI DOLOCAN ◽  
VOICU OCTAVIAN DOLOCAN ◽  
VOICU DOLOCAN
Keyword(s):  
Experimental Data ◽  
Cohesive Energy ◽  
Noble Gases ◽  
Three Dimensional ◽  
The Other ◽  
Ionic Crystals ◽  
Coupling Constant ◽  
Good Agreement

Using a new Hamiltonian of interaction we have calculated the cohesive energy in three-dimensional structures. We have found the news dependences of this energy on the distance between the atoms. The obtained results are in a good agreement with experimental data in ionic, covalent and noble gases crystals. The coupling constant γ between the interacting field and the atoms is somewhat smaller than unity in ionic crystals and is some larger than unity in covalent and noble gases crystals. The formulae found by us are general and may be applied, also, to the other types of interactions, for example, gravitational interactions.

Intercalation Processes in Cobalt Substituted Nickel Oxyhydroxides

1990 ◽  
Vol 210 ◽  
Author(s):  
Claude Delmas
Keyword(s):  
Ir Spectroscopy ◽  
Mechanical Treatment ◽  
Positive Charge ◽  
Van Der Waals ◽  
The Other ◽  
Hydrolysis Reaction ◽  
Water Molecules ◽  
Layered Oxides ◽  
Experimental Conditions ◽  
Cobalt Ions

AbstractChimie douce reactions (hydrolysis and reduction) from layered oxides : NaNiO2, NaxCoO2 and NaNil-xCoxO2 lead to numerous oxyhydroxides and hydroxides which differ by the composition of the intersheet space.According to the experimental conditions of the hydrolysis reaction, the oxyhydroxides can be unhydrated or intercalated with one or two layers of water molecules. From the most hydrated phases, the other ones can be obtained by chemical, thermal and even mechanical treatment.The reduction of Co-substituted nickel oxyhydroxides leads to hydroxides in which nickel and cobalt ions are respectively divalent and trivalent. In order to compensate the excess of positive charge in the (Ni, Co)O2 sheet, anions (OH-, CO32-, SO42-, NO3-) are inserted in the Van der Waals gap.For the highest anion amounts, well ordered α*-type materials are obtained. Water molecules are simultaneously inserted in the interslab space. Their structure is strongly related to the hydrotalcite one. When the amouit of anions in the intersheet space is not sufficient, interstratified materials are obtained. In this case the (Ni,Co)(OH)2 slabs are separated by a layer of CO32- anions and water molecules (α*-type) or by an empty Van der Waals gap (β(II)-type). The amount of α*-type planes in the structure increases with the cobalt amount. All these materials have been characterized by IR spectroscopy which allows to detect the existence of two types of O-H bonds (free in α*-type plane or hydrogen bonded in ²(II)-type plane).

Electron drift caused by rf field gradient creates many plasma phenomena: An attempt to distinguish the cause and the effect

2011 ◽  
Vol 78 (2) ◽  
pp. 165-174 ◽  
Author(s):  
C. L. XAPLANTERIS ◽  
E. D. FILIPPAKI ◽  
I. S. MISTAKIDIS ◽  
L. C. XAPLANTERIS
Keyword(s):  
Experimental Data ◽  
Steady State ◽  
Low Temperature ◽  
Mathematical Models ◽  
Field Gradient ◽  
Collision Frequency ◽  
The Other ◽  
Frequency Effect ◽  
Electron Drift ◽  
Plasma Parameters

AbstractMany experimental data along with their theoretical interpretations on the rf low-temperature cylindrical plasma have been issued until today. Our Laboratory has contributed to that research by publishing results and interpretative mathematical models. With the present paper, two issues are being examined; firstly, the estimation of electron drift caused by the rf field gradient, which is the initial reason for the plasma behaviour, and secondly, many new experimental results, especially the electron-neutral collision frequency effect on the other plasma parameters and quantities. Up till now, only the plasma steady state was taken into consideration when a theoretical elaboration was carried out, regardless of the cause and the effect. This indicates the plasma's complicated and chaotic configuration and the need to simplify the problem. In the present work, a classification about the causality of the phenomena is attempted; the rf field gradient electron drift is proved to be the initial cause.

scholarly journals Removal of Chromium from Aqueous Solution Using Modified Pomegranate Peel:Mechanistic and Thermodynamic Studies

2009 ◽  
Vol 6 (s1) ◽  
pp. S153-S158 ◽  
Author(s):  
Tariq S. Najim ◽  
Suhad A. Yassin
Keyword(s):  
Activation Energy ◽  
Solid Solution ◽  
Aqueous Solution ◽  
Adsorption Process ◽  
Batch Process ◽  
The Other ◽  
Water Molecules ◽  
Pomegranate Peel ◽  
Solution Interface ◽  
Adsorbent Surface

Modified pomegranate peel (MPGP) and formaldehyde modified pomegranate peel (FMPGP) were prepared and used as adsorbent for removal of Cr(VI) ions from aqueous solution using batch process. The temperature variation study of adsorption on both adsorbents revealed that the adsorption process is endothermic, from the positive values of ∆H˚. These values lie in the range of physisorption. The negative values of ∆G˚ show the adsorption is favorable and spontaneous. On the other hand, these negative values increases with increase in temperature on both adsorbents, which indicate that the adsorption is preferable at higher temperatures. ∆S˚ values showed that the process is accompanied by increase in disorder and randomness at the solid solution interface due to the reorientation of water molecules and Cr(VI) ions around the adsorbent surface. The endothermic nature of the adsorption was also confirmed from the positive values of activation energy, Ea, the low values of Ea confirm the physisorption mechanism of adsorption. The sticking probability, S*, of Cr(VI) ion on surface of both adsorbents showed that the adsorption is preferable due to low values of S*(0< S*< 1 ), but S*values are lower for FMPGP indicating that the adsorption on FMPGP is more preferable .

Buckling Design of Axially Compressed Cylindrical Shells Based on Energy Barrier Approach

2021 ◽  
pp. 2150165
Author(s):  
Haigui Fan ◽  
Wenguang Gu ◽  
Longhua Li ◽  
Peiqi Liu ◽  
Dapeng Hu
Keyword(s):  
Experimental Data ◽  
Energy Barrier ◽  
Thin Shell ◽  
Design Method ◽  
Lightweight Design ◽  
Cylindrical Shells ◽  
Design Criterion ◽  
The Other ◽  
Shell Structures ◽  
Buckling Loads

Buckling design of axially compressed cylindrical shells is still a challenging subject considering the high imperfection-sensitive characteristic in this kind of structure. With the development of various design methods, the energy barrier concept dealing with buckling of imperfection-sensitive cylindrical shells exhibits a promising prospect in recent years. In this study, buckling design of imperfection-sensitive cylindrical shells under axial compression based on the energy barrier approach is systematically investigated. The methodology about buckling design based on the energy barrier approach is described in detail first taking advantage of the cylindrical shells whose buckling loads have been extensively tested. Then, validation and discussion about this buckling design method have been carried out by the numerical and experimental analyses on the cylindrical shells with different geometrical and boundary imperfections. Results in this study together with the available experimental data have verified the reliability and advantage of the buckling design method based on energy barrier approach. A design criterion based on the energy barrier approach is therefore established and compared with the other criteria. Results indicate that buckling design based on energy barrier approach can be used as an efficient way in the lightweight design of thin-shell structures.

Psychophysical interactions with a double-slit interference pattern: Exploratory evidence of a causal influence

2021 ◽  
Vol 34 (1) ◽  
pp. 79-88
Author(s):  
Dean Radin ◽  
Helané Wahbeh ◽  
Leena Michel ◽  
Arnaud Delorme
Keyword(s):  
Experimental Data ◽  
Interference Pattern ◽  
Type I Error ◽  
Human Mind ◽  
The Other ◽  
Type I ◽  
Fringe Visibility ◽  
Future Studies ◽  
Before And After ◽  
Double Slit

An experiment we conducted from 2012 to 2013, which had not been previously reported, was designed to explore possible psychophysical effects resulting from the interaction of a human mind with a quantum system. Participants focused their attention toward or away from the slits in a double-slit optical system to see if the interference pattern would be affected. Data were collected from 25 people in individual half-hour sessions; each person repeated the test ten times for a total of 250 planned sessions. “Sham” sessions designed to mimic the experimental sessions without observers present were run immediately before and after as controls. Based on the planned analysis, no evidence for a psychophysical effect was found. Because this experiment differed in two essential ways from similar, previously reported double-slit experiments, two exploratory analyses were developed, one based on a simple spectral analysis of the interference pattern and the other based on fringe visibility. For the experimental data, the outcome supported a pattern of results predicted by a causal psychophysical effect, with the spectral metric resulting in a 3.4 sigma effect (p = 0.0003), and the fringe visibility metric resulting in 7 of 22 fringes tested above 2.3 sigma after adjustment for type I error inflation, with one of those fringes at 4.3 sigma above chance (p = 0.00001). The same analyses applied to the sham data showed uniformly null outcomes. Other analyses exploring the potential that these results were due to mundane artifacts, such as fluctuations in temperature or vibration, showed no evidence of such influences. Future studies using the same protocols and analytical methods will be required to determine if these exploratory results are idiosyncratic or reflect a genuine psychophysical influence.

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