Das Kombinationsschwingungsspektrum von Gips im Bereich von 10 000—1200 cm-1

1968 ◽  
Vol 23 (5) ◽  
pp. 708-715 ◽  
Author(s):  
V. Hohler ◽  
H. D. Lutz
Keyword(s):  
Hydrogen Bonds ◽  
Ir Spectrum ◽  
Room Temperature ◽  
Polarized Light ◽  
Water Molecules ◽  
Lattice Vibrations ◽  
Frequency Range ◽  
Sulfate Ions ◽  
Normal Vibrations

The IR-spectrum of gypsum (CaSO4·2 H2O) in the frequency range from 10 000 to 1200 cm-1 has been investigated with polarized light at room temperature. Between 3700 and 1200 cm-1, the measurements confirm the data of HASS and SUTHERLAND and as well as those of SCHAAK derived from IR and reflection measurements. The IR-spectrum shows a great number of bands, most of which can be assigned to combination and fundamental vibrations in terms of normal vibrations of the water molecules and the sulfate ions. The influence of the lattice vibrations is briefly discussed. The existence of hydrogen bonds between the water molecules and the sulfate ions gives rise to combinations of fundamental vibrations of both complexes.

scholarly journals Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate

2015 ◽  
Vol 71 (11) ◽  
pp. 1384-1387
Author(s):  
Marwen Chouri ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Molar Ratio ◽  
Water Molecules ◽  
Site Symmetry ◽  
Two Dimensional ◽  
Slow Evaporation ◽  
Solution Ph

The title compound bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was obtained by slow evaporation at room temperature of a hydrochloric aqueous solution (pH = 1) containing bismuth(III) nitrate and 1,4-diazabicyclo[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10]4−bioctahedra (site symmetry -1) separated by layers of organic 1,4-diazoniabicyclo[2.2.2]octane dications [(DABCOH2)2+] and water molecules. O—H...Cl, N—H...O and N—H...Cl hydrogen bonds lead to additional cohesion of the structure.

scholarly journals Influence of Magnetic Field on Evaporation Rate and Surface Tension of Water

2018 ◽  
Vol 2 (4) ◽  
pp. 68 ◽  
Author(s):  
Emil Chibowski ◽  
Aleksandra Szcześ ◽  
Lucyna Hołysz
Keyword(s):  
Magnetic Field ◽  
Surface Tension ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Evaporation Rate ◽  
Water Evaporation ◽  
Water Molecules ◽  
Surface Tension Data ◽  
Ring Magnet ◽  
The Magnetic Field

Using neodymium ring magnets (0.5–0.65 T), the experiments on the magnetic field (MF) effects on water evaporation rate and surface tension were performed at room temperature (22–24 °C). In accordance with the literature data, the enhanced evaporation rates were observed in the experiments conducted in a period of several days or weeks. However, the evaporated amounts of water (up to 440 mg over 150 min) in particular experiments differed. The evaporated amounts depended partially on which pole of the ring magnet was directed up. The relatively strong MF (0.65 T) caused a slight decrease in surface tension (−2.11 mN/m) which lasted longer than 60 min and the memory effect vanished slowly. The surface tension data reduced by the MF action are reported in the literature, although contrary results can be also found. The observed effects can be explained based on literature data of molecular simulations and the suggestion that MF affects the hydrogen bonds of intra- and inter-clusters of water molecules, possibly even causing breakage some of them. The Lorentz force influence is also considered. These mechanisms are discussed in the paper.

scholarly journals (NH4)Mg(HSO4)(SO4)(H2O)2 and NaSc(CrO4)2(H2O)2, two crystal structures comprising kröhnkite-type chains, and the temperature-induced phase transition (NH4)Mg(HSO4)(SO4)(H2O)2\rightleftharpoons (NH4)MgH(SO4)2(H2O)2

2021 ◽  
Vol 77 (3) ◽  
pp. 144-151
Author(s):  
Matthias Weil ◽  
Uwe Kolitsch
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Room Temperature ◽  
Classification Scheme ◽  
Three Dimensional ◽  
Structure Type ◽  
Group Symmetry ◽  
Water Molecules

The crystal structure of the mineral kröhnkite, Na2Cu(SO4)2(H2O)2, contains infinite chains composed of [CuO4(OH2)2] octahedra corner-linked with SO4 tetrahedra. Such or similar tetrahedral–octahedral `kröhnkite-type' chains are present in the crystal structures of numerous compounds with the composition AnM(XO4)2(H2O)2. The title compounds, (NH4)Mg(HSO4)(SO4)(H2O)2, ammonium magnesium hydrogen sulfate sulfate dihydrate, and NaSc(CrO4)2(H2O)2, sodium scandium bis(chromate) dihydrate, are members of the large family with such kröhnkite-type chains. At 100 K, (NH4)Mg(HSO4)(SO4)(H2O)2 has an unprecedented triclinic crystal structure and contains [MgO4(OH2)2] octahedra linked by SO3(OH) and SO4 tetrahedra into chains extending parallel to [\overline{1}10]. Adjacent chains are linked by very strong hydrogen bonds between SO3(OH) and SO4 tetrahedra into layers parallel to (111). Ammonium cations and water molecules connect adjacent layers through hydrogen-bonding interactions of medium-to-weak strength into a three-dimensional network. (NH4)Mg(HSO4)(SO4)(H2O)2 shows a reversible phase transition and crystallizes at room temperature in structure type E in the classification scheme for structures with kröhnkite-type chains, with half of the unit-cell volume for the resulting triclinic cell, and with disordered H atoms of the ammonium tetrahedron and the H atom between two symmetry-related sulfate groups. IR spectroscopic room-temperature data for the latter phase are provided. Monoclinic NaSc(CrO4)2(H2O)2 adopts structure type F1 in the classification scheme for structures with kröhnkite-type chains. Here, [ScO4(OH2)2] octahedra (point group symmetry \overline{1}) are linked by CrO4 tetrahedra into chains parallel to [010]. The Na+ cations (site symmetry 2) have a [6 + 2] coordination and connect adjacent chains into a three-dimensional framework that is consolidated by medium–strong hydrogen bonds involving the water molecules. Quantitative structural comparisons are made between NaSc(CrO4)2(H2O)2 and its isotypic NaM(CrO4)2(H2O)2 (M = Al and Fe) analogues.

Infrared Spectra of Water in Crystalline Hydrates: KSnCl3•H2O, an Untypical Monohydrate

1974 ◽  
Vol 52 (16) ◽  
pp. 2928-2931 ◽  
Author(s):  
Michael Falk ◽  
Chung-Hsi Huang ◽  
Osvald Knop
Keyword(s):  
Hydrogen Bonds ◽  
Infrared Spectra ◽  
Low Temperatures ◽  
Room Temperature ◽  
Water Molecules ◽  
Crystalline Hydrates

Infrared spectra of polycrystalline KSnCl3•H2O were recorded between 4000 and 300 cm−1 at different degrees of deuteration and at temperatures between 30 and −160 °C. At low temperatures the spectra show a complexity indicative of the presence of several crystallographically distinct water molecules. These molecules occupy sites with nearly identical environments and at room temperature are spectroscopically indistinguishable. The environment of each of these molecules is asymmetric. Hydrogen bonds are very weak and probably highly bent. The water molecules are less separated from one another than in K2SnCl4•H2O and may share their potassium neighbors.

MmHn(XO4)(m+n)/2crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K9H7(SO4)8·H2O crystals – a new representative of the family of solid acid conductors

2014 ◽  
Vol 70 (2) ◽  
pp. 218-226 ◽  
Author(s):  
Irina Makarova ◽  
Vadim Grebenev ◽  
Elena Dmitricheva ◽  
Valentina Dolbinina ◽  
Dmitry Chernyshov
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Water Molecules ◽  
Outward Diffusion ◽  
The Family ◽  
Bond Network ◽  
Dielectric And Optical Properties ◽  
Bond Rearrangement ◽  
Crystal Bulk

To reveal the structural conditionality for anomalies in physical properties, including dielectric and optical properties, diffraction studies of K9H7(SO4)8·H2O crystals were performed using synchrotron radiation in the temperature range 293–450 K and determined at 405 K, taking H atoms into account. The results indicate that the occurrence of high conductivity in K9H7(SO4)8·H2O crystals with a temperature increase is associated with the outward diffusion of water molecules, hydrogen-bond network rearrangement and the formation of channels for the possible motion of K+ions. A rearranged system of hydrogen bonds consists of permanent bonds and partly of dynamically disordered bonds. Hydrogen-bond rearrangement and the hindered back diffusion of water to the crystal bulk stabilize the high-temperature crystal structure right down to room temperature.

scholarly journals Synthesis and structural studies of a new complex ofcatena-poly[p-anisidinium [[diiodidobismuthate(III)]-di-μ-iodido] dihydrate]

2015 ◽  
Vol 71 (11) ◽  
pp. 1352-1355
Author(s):  
Mohamed El Mehdi Touati ◽  
S. Elleuch ◽  
Habib Boughzala
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Hybrid Material ◽  
Room Temperature ◽  
Water Molecules ◽  
Structural Studies ◽  
Slow Evaporation ◽  
Inorganic Hybrid ◽  
Anionic Sublattice ◽  
Inorganic Layers

A new organic–inorganic hybrid material, {(C7H10NO)[BiI4]·2H2O}n, has been synthesized by slow evaporation of an aqueous solution at room temperature. The anionic sublattice of the crystal is built up by [BiI6] octahedra sharing edges. The resulting zigzag chains extend along thea-axis direction and are arranged in a distorted hexagonal rod packing. Thep-anisidinium cations and the water molecules are located in the voids of the anionic sublattice. The cations are linked to each other through N—H...O hydrogen bonds with the water molecules, and also through weaker N—H...I interactions to the anionic inorganic layers.

scholarly journals Отражение от боковой грани кристалла PbSb-=SUB=-2-=/SUB=-Te-=SUB=-4-=/SUB=-

2020 ◽  
Vol 54 (3) ◽  
pp. 228
Author(s):  
С.А. Немов ◽  
Ю.В. Улашкевич ◽  
М.В. Погумирский ◽  
О.С. Степанова
Keyword(s):  
Experimental Data ◽  
Crystal Lattice ◽  
Room Temperature ◽  
Polarized Light ◽  
Spectral Features ◽  
Reflection Spectra ◽  
Lattice Vibrations ◽  
Lorentz Model ◽  
Plasma Oscillations ◽  
Side Face

The reflection spectra from the side face of a PbSb2Te4 crystal were measured by room temperature in polarized light in the range 50-4000 cm-1. Significant anisotropy of the crystal is shown in the directions along and across the crystal layers. The revealed spectral features are interpreted by the contribution of plasma oscillations and crystal lattice vibrations. The calculated dielectric function parameters in the framework of the Drude-Lorentz model are consistent with experimental data.

scholarly journals Structure and thermal properties associated with some hydrogen bonds in crystals, II. Thermal expansion

1939 ◽  
Vol 170 (941) ◽  
pp. 241-251 ◽  
Keyword(s):  
Thermal Expansion ◽  
Thermal Properties ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Zero Point ◽  
Lattice Vibrations ◽  
Point Energy ◽  
Binding Forces ◽  
Anisotropy Of Thermal Expansion ◽  
Made In

One of the most important thermodynamic properties of a crystal in relation to its structure is the thermal expansion, which provides information on the lattice vibrations, and thus indirectly on the binding forces. The experiments described in this paper were carried out with a view to obtaining fresh information on hydrogen and hydroxyl bonds in crystals from measurements of the thermal expansion. A comparison of the thermal expansion of corresponding- hydrogen and deuterium compounds from about 90° K to room temperature was made in order to distinguish between lattice deformations due to zero point energy and thermal energy respectively. The marked anisotropy of thermal expansion in crystals containing hydrogen bonds throws interesting light on the structure.

scholarly journals A New Decavanadate with Organic Cation: Synthesis, Crystal Structure, and Hirshfeld Surface Analysis

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Rawia Nasri ◽  
Regaya Ksiksi ◽  
Mohsen Graia ◽  
Mohamed Faouzi Zid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Organic Cation ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Van Der Waals Interactions ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray

A new 2,6-bis aminomethyl piperidine decavanadate hydrate, (C7N3H20)2V10O28.4.21H2O, was synthesized by slow evaporation of a solution at room temperature. The molecular structure was investigated by single-crystal X-ray diffraction. In the crystal structure, the layers of decavanadate groups, organic cations, and water molecules are arranged parallel to the (010) plane. Also, the prepared compound has been analysed by FTIR spectroscopy and scanning electron microscopy (SEM). The crystal structure of the title compound is stabilized by hydrogen bonds and van der Waals interactions. The cohesion of the structure is ensured by O-H…O and N-H…O hydrogen bonds. The three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FPs) of (C7N3H20)2V10O28.4.21H2O compound revealed that the structure is dominated by O…H/H…O (70.8%) and H…H (18.5%) contacts.

scholarly journals Crystal structure of the sesquihydrate of dehydroepiandrosterone propan-2-ylidene hydrazone: Participation of the hydrazonyl nitrogen atoms as acceptors in the elaborate hydrogen bond scheme

2021 ◽  
Vol 12 (1) ◽  
pp. 81-85
Author(s):  
James Lewis Wardell ◽  
John Nicholson Low
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Water Molecules ◽  
Torsional Angle ◽  
Orthorhombic Space Group ◽  
The Difference ◽  
Torsional Angles ◽  
Water Hydrogen

The crystal structure of the sesquihydrate of dehydroepiandrosterone propan-2-ylidene hydrazone, [(7)2·(H2O)3], isolated from a solution of dehydroepiandrosterone propan-2-ylidene hydrazone, (7), in moist ethanol at room temperature, has been determined from data collected at 100 K. The sesquihydrate recrystallizes in the orthorhombic space group, P212121 with Z = 8. The asymmetric unit of [(7)2·(H2O)3] consists of two independent molecules of the steroid, Mol A and Mol B, and three moles of water. The six membered saturated rings, A and C, in both molecules have ideal or near ideal chair shapes, the unsaturated rings, B, have the expected half-chair shapes, while the five-membered rings, D, have envelope shapes with flaps at C114 and C214 for Mol A and Mol B, respectively. Differences in the conformations of the two molecules reside essentially completely within the hydrazonyl fragments with significantly different torsional angles, C117-N120-N121-C122 (in Mol A) and C217-N220-N221-C222 (in Mol B), of 149.19(14) and -93.08(17)°, respectively. The difference in this torsional angle is reflected in the hydrogen bonds involving the nitrogen atoms in the hydrazonyl units: it is of interest that the hydrazonyl nitrogen atoms partake as acceptors in hydrogen bonding with water molecules. The only intermolecular interactions in these molecules are hydrogen bonds -all classical O-H-O and OH···N hydrogen bonds with just one exception, a C-H···O(water) hydrogen bond. Of interest, there are no direct steroid-steroid links: molecules are linked solely by hydrogen bonds involving the hydrate molecules. All three hydrate molecules take part in the indirect linking of the steroid molecules, but each has its own set of contacts.

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