Vibrational relaxation of water molecules near room temperature

1978 ◽  
Vol 69 (3) ◽  
pp. 1240 ◽  
Author(s):  
H. K. Shin
Keyword(s):  
Vibrational Relaxation ◽  
Room Temperature ◽  
Water Molecules

The Effect of Electron Irradiation on the Structure of Sodium Aluminum-Iron Phosphate Glasses

MRS Advances ◽  
2016 ◽  
Vol 1 (63-64) ◽  
pp. 4227-4232 ◽  
Author(s):  
S.V. Stefanovsky ◽  
O.I. Stefanovsky ◽  
M.I Kadyko ◽  
V.A. Zhachkin ◽  
L.D. Bogomolova
Keyword(s):  
Room Temperature ◽  
Structural Evolution ◽  
Iron Phosphate ◽  
Esr Spectra ◽  
Phosphate Glasses ◽  
Water Molecules ◽  
Oxygen Hole ◽  
Bending Modes ◽  
Iron Phosphate Glasses ◽  
Hole Centers

ABSTRACTGlasses of the series (mol.%) 40 Na2O, (20-x) Al2O3, x Fe2O3, 40 P2O5 were irradiated with 8 MeV electrons to doses equivalent of 0.1, 0.5, and 1.0 MGy and characterized by FTIR spectroscopy and ESR at room temperature. FTIR spectra of all the glasses consist of strong bands due to O-P-O stretching modes in (PO4)3- and (P2O7)4- units at 1000-1200 cm-1, P-O-P stretching modes at 900-950 cm-1 (νas) and 700-750 cm-1 (νs), and bending modes in the PO4 units. The wavenumber range lower 800 cm-1 has some contribution due to stretching modes in MO4 and MO6 (M = Al, Fe) units. Moreover the bands at 3300-3700 cm-1 and 1550-1650 cm-1 due to stretching and bending modes in both absorbed and structurally bound H2O molecules were present. As irradiation dose increases the bands due to stretching and bending modes in water molecules and M-O-H bonds become stronger and are split. No essential changes with increasing dose were observed within the spectral range of stretching modes of the O-P-O and P-O-P bonds. Irradiation yields phosphorus-oxygen hole centers - PO42- (D5) and PO42- (D6), and PO32- ion-radicals (D2) observable in ESR spectra of low-Fe glasses. At x>5 their responses are overlapped with strong broad line due to Fe(III). On the whole, with the increase in iron content the glass structural evolution decrease.

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 Ein Wasserstoffisotopieeffekt im CuSO4 * 5H2O

1969 ◽  
Vol 24 (10) ◽  
pp. 1502-1511
Author(s):  
Karl Heinzinger
Keyword(s):  
Water Vapor ◽  
Aqueous Solutions ◽  
Separation Factor ◽  
Room Temperature ◽  
Copper Ion ◽  
Hydrogen Isotopes ◽  
Bulk Water ◽  
Water Molecules ◽  
Hydration Water ◽  
Sulfate Solutions

Abstract There are two kinds of water in CuSO4·5H2O differing by their binding in the crystal. The oxygen of four water molecules is bonded to the copper ion, that of the fifth molecule is hydrogen bonded. It is shown that the D/H ratios of these two kinds of water differ by 5.7%, the light isotope being enriched in the water molecules coordinated with the copper ion. The results show that there is no exchange of the hydrogen isotopes during the time needed for dehydration at room temperature which takes several days. The assumption has been confirmed that the water coordinated with the copper ion leaves the crystal first on dehydration at temperatures below 50 °C. Additional measurements of the separation factor for the hydrogen isotopes between water vapor and copper sulfate solutions allow conclusions on the fractionation of the hydrogen isotopes between bulk water and hydration water in aqueous solutions.

scholarly journals INFRARED SPECTRA OF THIOSACCHARINATES OF CADMIUM AND LEAD COMPARISON WITH THE ANALOGOUS METAL SACCHARINATES

2017 ◽  
Vol 27 (1-2) ◽  
Author(s):  
Gligor Jovanovski ◽  
Adnan Kahil ◽  
Orhideja Grupče
Keyword(s):  
Infrared Spectra ◽  
Room Temperature ◽  
Spectral Characteristics ◽  
Crystalline Hydrate ◽  
Water Molecules ◽  
X Ray ◽  
Weak Hydrogen Bonds ◽  
Deuterated Analogue ◽  
The Fourier Transform ◽  
Cadmium And Lead

A b s t r a c t: The Fourier transform (FT) infrared spectra of thiosaccharinates of cadmium and lead in the 4000–400 cm–1 region were studied. Although the observed resemblance between the spectra recorded in KBr pellets suggests a possible similarity between their structures as well, the powder X-ray diagrams show that these two compounds are not isomorphous. The presence of broad and intense bands in the region of the HOH stretchings shows that thiosaccharinate of cadmium is a crystalline hydrate and the spectral picture in the region of the O-D stretchings of the isotopically isolated HOD molecules in the partially deuterated analogue indicates that present in its structure are at least two types of crystallographically different water molecules involved in the formation of weak hydrogen bonds. The room temperature (RT) spectrum of lead thiosaccharinate in the region of the ν(HOH) modes differs significantly from the spectrum recorded at the boiling temperature of liquid nitrogen (LNT), which may perhaps be interpreted as an indication that a phase transition is taking place on lowering the temperature. The spectrum of lead thiosaccharinate was recorded in a Nujol mull as well. While the KBr and Nujol spectra are essentially identical in the region below 1600 cm–1, no bands are observed in the HOH stretching region of the mull spectra. In fact, it was shown that the appearance of the spectra of lead thiosaccharinates depends on the emulsion preparation rate. A comparison of the spectral characteristics of the thiosaccharinates of cadmium and lead with those of the corresponding saccharinates (their crystal structures are known) was made, special attention being paid to the analysis of the SO2 stretching region in the saccharinate and thiosaccharinate compounds.

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.

Crystal Structures of Piperazinium Tetrabromocadmate(II)-Monohydrate [C4H12N2]CdBr4 · H2O, PiperaziniumTetraiodocadmate(II) [C4H12N2]CdI4, and Bis(trimethylsulphonium) Tetrabromocadmate(II) [(CH3)3S]2CdBr4

2002 ◽  
Vol 57 (5) ◽  
pp. 503-508 ◽  
Author(s):  
Hideta Ishihara ◽  
Keizo Horiuchi ◽  
Thorsten M. Gesing ◽  
Shi-qi Dou ◽  
J.-Christian Buhl ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Room Temperature ◽  
Water Molecules ◽  
Temperature Phase

Piperazinium tetrabromocadmate(II)-monohydrate, [C4H12N2]CdBr4 · H2O (1) crystallizes with isolated [CdBr4]2- anions, piperazinium cations, and water molecules (monoclinic, P21/c, Z = 4, a = 698.7(1), b = 1348.6(3), and c = 1432.4(3) pm, β = 92.97(3)˚ at 293 K). The crystal structure of 1 is almost the same as that reported in Inorg. Chim. Acta 187, 141 (1991). The crystal of piperazinium tetraiodocadmate(II), [C4H14N2]CdI4 (2) consists of isolated [CdI4]2- anions and piperazinium cations (orthorhombic,P212121, Z=4, a = 903.2(5), b = 1226.3(6), and c = 1307.9(7) pm at 293 K). The room temperature phase of bis(trimethylsulphonium) tetrabromocadmate( II), [(CH3)3S]2CdBr4 (3) has isolated [CdBr4]2- anions and trimethylsulphonium cations (orthorhombic, P212121, Z = 4, a = 911.3(1), b = 1329.2(2), and c = 1454.7(2) pm at 293 K).

Heterobimetallische 3d-4f-Komplexe mit Bis(1,2-dithiooxalato)nickelat(II) als planarem Brückenbaustein / Heterobimetallic 3d-4f-Complexes with Bis(1,2-dithiooxalato)nickelate(II) as Planar Bridging Block

2005 ◽  
Vol 60 (11) ◽  
pp. 1149-1157 ◽  
Author(s):  
Matthias Siebold ◽  
Alexandra Kelling ◽  
Uwe Schilde ◽  
Peter Strauch
Keyword(s):  
Room Temperature ◽  
Magnetic Moments ◽  
Lanthanide Ions ◽  
Water Molecules ◽  
Unit Cell Parameters ◽  
Ionic Radii ◽  
X Ray ◽  
Cell Parameters ◽  
Heterobimetallic Complexes ◽  
The Individual

Planar bis(1,2-dithiooxalato)nickelates(II) react in aqueous solutions of lanthanide ions to form pentanuclear, heterobimetallic complexes of the general composition [{Ln(H2O)n}2- {Ni(dto)2}3]・xH2O (Ln = Y3+, La3+, Ce3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, Er3+, Tm3+, Yb3+, Lu3+; n = 4 or 5; x = 9 - 12). With [{Nd(H2O)5}2{Ni(S2C2O2)2}3]・xH2O (x = 10 - 12) (1) and [{Er(H2O)4}2{Ni(S2C2O2)2}3]・xH2O (x = 9 - 10) (2) we were able to isolate two complexes of this series as single crystals, which were characterized by X-ray structure analysis. Depending on the individual ionic radii of the lanthanide ions, the compounds crystallize in two different crystal systems with the following unit cell parameters: 1, monoclinic in P21/c with a = 11.3987(13), b = 11.4878(8), c = 20.823(2) Å , β = 98.907(9)° and Z = 2; 2, triclinic in P1̅ with a = 10.5091(6), b = 11.0604(6), c = 11.2823(6) Å , α = 107.899(4)°, β = 91.436(4)°, γ = 112.918(4)° and Z = 1. The channels and cavities appearing in the packing of the molecules are occupied by uncoordinated water molecules. High magnetic moments up to 14.65 BM./f.u. have been observed at room temperature due to the combined moments of the individual lanthanide ions.

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 Hydrogen Bond Studies. 125. A Deuteron Magnetic Resonance Study of Strontium Formate Dihydrate, Sr(HCOO)2 · 2D2O

1977 ◽  
Vol 32 (9) ◽  
pp. 1025-1029 ◽  
Author(s):  
Bo Berglund ◽  
Jörgen Tegenfeldt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Magnetic Resonance ◽  
Electric Field Gradient ◽  
Room Temperature ◽  
Coupling Constants ◽  
Water Molecules ◽  
Magnetic Resonance Study ◽  
Quadrupole Coupling ◽  
Asymmetry Parameters

AbstractA room temperature (25 °C) deuteron magnetic resonance (DMR) study of a single crystal of Sr (HCOO)2 · 2 D2O is reported. Signals from all water molecules in the unit cell have been detected, and all four independent electric field gradient (EFG) tensors at the water deuterons have been determined from 409 quadrupole splittings. All spectra were recorded by rotating the crystal about one arbitrarily selected axis. The following quadrupole coupling constants and asymmetry parameters for the deuterons were obtained: 213.5(4), 189.3(4), 195.7(4) and 200.7(5) kHz and 0.117(3), 0.110(4), 0.116(4) and 0.098(3). The directions of the eigenvalues are qualitatively consistent with the crystal structure refined by Galigné 1; the result is in disagreement, however, with the earlier DMR study of Sr (DCOO)2 · 2 D2O (Reference 2).

Dissociation of H2O molecule adsorbed on Si (001) 2×1 surface: a theoretical study

2008 ◽  
Vol 1145 ◽  
Author(s):  
Hyun-Chul Oh ◽  
Hwa-Il Seo ◽  
Yeong-Cheol Kim
Keyword(s):  
Water Molecule ◽  
Room Temperature ◽  
Surface Coverage ◽  
Theoretical Study ◽  
Surface Model ◽  
Water Molecules ◽  
First Principles Calculations ◽  
Adsorption Sites ◽  
Adsorption Surface ◽  
Adsorption And Dissociation

AbstractThe adsorption and dissociation behavior of water molecule below and above the critical dissociation temperatures were studied by first principles calculations. We found that water-molecule adsorption (surface coverage, θ=0.25) on the down Si atom of a Si dimer in two dimers surface model was 0.26 eV more favorable than that on the up Si atom. The activation energies of water molecule on the down Si atom for interdimer and intradimer dissociations were 0.17 eV and 0.20 eV, respectively. Due to the lower activation energy, the water molecule splits into H and OH immediately once it adsorbs on down Si atom of the Si (001) surface at room temperature. There were three different adsorption sites among four sites of the two dimers for the second water molecule (θ=0.5): one was preoccupied by OH of the first water molecule; up Si atom of the same-dimer with 76.3 % probability, up Si atom of the adjacent-dimer with 23.6 % probability, and down Si atom of the adjacent-dimer with 0.1 % probability. Thus, ½ monolayer of OH sites on the Si (001) surface are irregularly distributed when water molecules are adsorbed and dissociated at room temperature.

Sign in / Sign up

Export Citation Format

Share Document