The hydrogen bonding structure of adsorbed water on silver iodide and Feldspar minerals

2020 ◽  
Author(s):  
Markus Ammann ◽  
Huanyu Yang ◽  
Luca Artiglia ◽  
Anthony Boucly
Keyword(s):  
Hydrogen Bonding ◽  
Water Vapor ◽  
Silver Iodide ◽  
Adsorbed Water ◽  
Photoelectron Spectra ◽  
Water Molecules ◽  
Xps Spectra ◽  
X Ray ◽  
Bonding Structure ◽  
Electron Yield

<p>The hydrogen bonding structure of adsorbed water on a solid substrate may control deposition nucleation, which is a pathway of heterogeneous ice nucleation. Hydrogen bonding of water molecules is also controlling the interface between the solid and liquid water relevant for other heterogeneous freezing modes. The hydrogen bonding structure may be affected by short and long-range interactions between the substrate and the water molecules nearby. Electron yield near edge X-ray absorption fine structure (NEXAFS) spectroscopy at the oxygen K-edge is used to experimentally explore the difference between the hydrogen bonding structure of interfacial H<sub>2</sub>O molecules under different conditions of temperature and water vapor pressure. Experiments reported in this work were performed at the in-situ electron spectroscopy endstation at the ISS beamline at the Swiss Light Source (PSI, SLS). We report electron yield oxygen K-edge NEXAFS spectra and X-ray photoelectron spectra from silver iodide (AgI) particles and milled feldspar samples exposed to water vapor at high relative humidity, but subsaturated with respect to ice. AgI serves as a well-studied reference case; and it contains no oxygen in its lattice, which simplifies the analysis of NEXAFS spectra at the O K-edge. The feldspar samples include a potassium containing microcline and a sodium-rich albite. The analysis of the NEXAFS spectra indicate rather tetrahedrally coordinated adsorbed water molecules on AgI particles. On the feldspars, the mobility of ions, as directly observed by the XPS spectra appears to have a strong impact on the hydrogen bonding structure, as apparent from substantial differences between samples previously immersed in pure water or as prepared. To sum up, we attempt to understand the behavior of the hydrogen bonding structure, which provides rich information about the arrangement of water molecules in the vicinity of a solid surface, that is linked to the ability of the solid to induce ice formation.</p>

scholarly journals Ordered Hydrogen Bonding Structure of Water Molecules Adsorbed on Silver Iodide Particles under Subsaturated Conditions

2021 ◽  
Author(s):  
Huanyu Yang ◽  
Anthony Boucly ◽  
Jérôme Philippe Gabathuler ◽  
Thorsten Bartels-Rausch ◽  
Luca Artiglia ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Silver Iodide ◽  
Water Molecules ◽  
Structure Of Water ◽  
Bonding Structure

A New Organic-Inorganic Hybrid Based on L-Arginine and Polyoxoanion

2015 ◽  
Vol 1105 ◽  
pp. 335-338
Author(s):  
Qiong Wu ◽  
Jing Lu ◽  
Xiao Lin Ji ◽  
Tao Yu Zou ◽  
Zhen Fang Qiao ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Sodium Cation ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Photocatalytic Activities ◽  
Metal Organic ◽  
Supramolecular Networks

Modifying polyoxometalates with organic and/or metal-organic moieties is a widely adopted method for broading the range of properties. In this work a new polyoxometalate constructed from Anderson-type polyoxoanions and L-arginine (Arg =L-arginine) molecules Na [CrMo6(OH)6O18]}(H2Arg)2·8H2O(1) has been synthesized via conventional method and characterized by routine techniques. Single-crystal X-Ray diffraction analysis shows that compound 1 is constructed by chiralL-arginine grafted Anderson-type clusters, sodium cation and water molecules which are further stabilized by hydrogen bonding interactions constitute 3D supramolecular networks. In addition, both antitumor behavior and photocatalytic activities of compound 1 were investigated.

XPS Spectra of Spin-Triplet Cobalt(III) Complexes

1979 ◽  
Vol 34 (10) ◽  
pp. 1468-1470 ◽  
Author(s):  
Dennis G. Brown ◽  
Ulrich Weser
Keyword(s):  
Triplet State ◽  
Spectral Region ◽  
Magnetic Moments ◽  
Binding Energies ◽  
Photoelectron Spectra ◽  
Xps Spectra ◽  
Satellite Structure ◽  
X Ray ◽  
Spin Triplet

Abstract The X-ray photoelectron spectra of cobalt(III) complexes in an unusual spin triplet state are reported. The binding energies in the 2P spectral region are somewhat low and the spectra exhibit rather strong satellite structure. The Co 2P1/2-CO 2P3/2 separations and satellite intensities appear to be related to the magnetic moments of the complexes as has been suggested previously for cobalt(II) compounds.

Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data

2003 ◽  
Vol 59 (6) ◽  
pp. 787-793 ◽  
Author(s):  
Vladimir V. Chernyshev ◽  
Denis Machon ◽  
Andrew N. Fitch ◽  
Sergei A. Zaitsev ◽  
Alexandr V. Yatsenko ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Protonation Site ◽  
X Ray ◽  
Space Groups ◽  
Solvent Water ◽  
Doxazosin Mesylate ◽  
Crystalline Forms ◽  
Solid State Structures

The three-dimensional solid-state structures of two modifications of doxazosin mesylate C23H26N5O_5^+·CH3SO_3^-, 4-amino-2-[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazin-1-yl]-6,7-dimethoxyquinazoline methanesulfonate, a commonly used antihypertensive agent, have been determined by synchrotron X-ray powder diffraction. An anhydrous form (A) and a dihydrate form (d G) crystallize in monoclinic space groups. In both forms the doxazosin molecule is protonated at the N1 atom of the quinazoline bicycle. The N1 atom, and the amino H atoms and O atoms of the mesylate moieties are involved in three-dimensional hydrogen-bonding networks, while solvent water molecules and carboxamide O atoms are also incorporated in a hydrogen-bonding network in d G.

Effect of Annealing on Valence Electronic States Related to Mn Ions of La0.67Sr0.33MnO3 Films

2017 ◽  
Vol 893 ◽  
pp. 113-117
Author(s):  
Rui Kun Pan ◽  
Yang Li ◽  
Fan Fang ◽  
Wan Qiang Cao ◽  
Yun Bin He
Keyword(s):  
Surface Defects ◽  
Vacuum Annealing ◽  
Photoelectron Spectra ◽  
Xps Spectra ◽  
X Ray ◽  
Lsmo Film ◽  
Peak Fitting ◽  
Binding Energy Peak ◽  
Energy Peak ◽  
Before And After

La0.67Sr0.33MnO3 (LSMO) films were prepared on SrTiO3 single-crystal substrates by the pulsed laser deposition method. X-ray photoelectron spectra (XPS) were measured for the LSMO films as-prepared and annealed in vacuum, respectively. Multiple peak fitting for Mn 2p3/2 XPS spectra shows that Mn3+ and Mn4+ proportionally decrease on the surface of the LSMO film annealed in vacuum compared with the as-prepared film. And the saturation magnetization (Ms) slightly decreases. Analysis indicates that a small amount of Mn2+, as surface defects of LSMO films, hardly changed after vacuum annealing. The total of Mn3+, Mn4+ and the low-binding energy peak (LEP) remains unchanged before and after annealing in vacuum, which suggests that LEP should be related with Mn3+ and Mn4+ when the magnetic properties are considered.

One-Step Synthesis and Luminescent Properties of Nanocrystalline YVO4:Eu3+ Powders

2008 ◽  
Vol 8 (3) ◽  
pp. 1228-1233 ◽  
Author(s):  
Deyan Kong ◽  
Zhenling Wang ◽  
Cuikun Lin ◽  
Piaoping Yang ◽  
Zewei Quan ◽  
...  
Keyword(s):  
Bulk Material ◽  
Luminescent Properties ◽  
Photoelectron Spectra ◽  
Synthesis Process ◽  
Luminescence Spectra ◽  
Luminescence Decay Curve ◽  
Xps Spectra ◽  
X Ray ◽  
Temperature Solution ◽  
Ft Ir

In this paper, nanocrystalline YVO4:Eu3+ powders have been successfully synthesized via high-temperature solution-phase synthesis process. The nanocrystalline YVO4:Eu3+ particles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), UV/Vis absorption spectra and luminescence spectra, luminescence decay curve and Fourier transform infrared (FT-IR), X-ray photoelectron spectra (XPS) respectively. The as-prepared nanocrystalline YVO4:Eu3+ particles are well crystallized with ellipsoidal morphology. The emission of YVO4:Eu3+ particles show emission originating from the 5D0 level, with 5D0–7F2 at 616 nm as the most prominent group. The excitation spectrumfits basically with the absorption spectrumfromthe vanadate ions. FT-IR and XPS spectra indicate that the surface ligands of nanocrystalline particles were oleic acid and oleylamine. The lifetime for the luminescence of Eu3+ in the as-prepared YVO4:Eu3+ samples are shorter than that of the bulk material due to the absorption of organic ligands on the nanoparticle surface.

scholarly journals Mechanochemical Synthesis and Structure of the Tetrahydrate and Mesoporous Anhydrous Metforminium(2+)-N,N’-1,4-Phenylenedioxalamic Acid Cocrystal Salt: The Role of Hydrogen Bonding and N→π* Charge Assisted Interactions

2020 ◽  
Author(s):  
Sayuri Chong-Canto ◽  
Efrén V. García-Báez ◽  
Francisco J. Martínez-Martínez ◽  
Ángel Ramos-Organillo ◽  
Itzia I. Padilla-Martínez
Keyword(s):  
Hydrogen Bonding ◽  
Mechanochemical Synthesis ◽  
Water Molecules ◽  
X Ray ◽  
X Ray Crystallography ◽  
Adsorption Desorption ◽  
First Time ◽  
Selective Formation ◽  
Crystallization From Solution

A new cocrystal salt of metformin, an antidiabetic drug, and N,N’-(1,4-phenylene)dioxalamic acid, was synthesized by mechanochemical synthesis, purified by crystallization from solution and characterized by single X-ray crystallography. The structure revealed a salt-type cocrystal composed of one dicationic metformin unit, two monoanionic units of the acid and four water molecules namely H2Mf(HpOXA)2∙4H2O. X-ray powder, IR, 13C-CPMAS, thermal and BET adsorption-desorption analyses were performed to elucidate the structure of the molecular and supramolecurar structure of the anhydrous microcrystalline mesoporous solid H2Mf(HpOXA)2. The results suggest that their structures, conformation and hydrogen bonding schemes are very similar between them. To the best of our knowledge, the selective formation of the monoanion HpOXA⁻, as well as its structure in the solid, is herein reported for the first time. Regular O(-)∙∙∙C(), O(-)∙∙∙N+ and bifacial O(-)∙∙∙C()∙∙∙O(-) of n→* charge-assisted interactions are herein described in H2MfA cocrystal salts which could be responsible of the interactions of metformin in biologic systems. The results, support the participation of n→* charge-assisted interactions independently, and not just as a short contact imposed by the geometric constraint due to the hydrogen bonding patterns.

Adsorption Isotherm and Kinetics of Water Vapor Adsorption Using Novel Super-Porous Hydrogel Composites

2020 ◽  
Author(s):  
Hemant Mittal ◽  
Ali Al-Alili ◽  
Saeed M. Alhassan
Keyword(s):  
Water Vapor ◽  
Adsorption Isotherm ◽  
Adsorption Capacity ◽  
Polymer Matrix ◽  
Adsorbed Water ◽  
Water Vapor Adsorption ◽  
Water Molecules ◽  
Vapor Adsorption ◽  
Highly Effective ◽  
Desiccant Material

Abstract Deliquescent salts have high water vapor adsorption capacity, but they dissolve in water by forming crystalline hydrates. That restricts their use in different water vapor adsorption applications. However, this limitation can be overcome by incorporating deliquescent salts within a polymer matrix which will keep the salt solution in place. Furthermore, if the polymer matrix used is also capable of adsorbing water vapor, it will further improve the overall performance of desiccant system. Therefore, in this work, we are proposing the synthesis and use of a highly effective new solid polymer desiccant material, i.e. superporous hydrogel (SPHs) of poly(sodium acrylate-co-acrylic acid (P(SA-co-AA)), and subsequently its composite with deliquescent salt, i.e. calcium chloride (CaCl2), to adsorb water vapors from humid air without the dissolution of the salt in the adsorbed water. Parental PAA-SPHs matrix alone exhibited an adsorption capacity of 1.02 gw/gads which increased to 3.35 gw/gads after incorporating CaCl2 salt in the polymer matrix. Both materials exhibited type-III adsorption isotherm and the experimental isotherm data fitted to the Guggenheim, Anderson and Boer (GAB) isotherm model. However, the adsorption kinetics followed linear driving force model which suggested that this extremely high adsorption capacity was due to the diffusion of water molecules into the interconnected pores of SPHs via capillary channels followed by the attachment of adsorbed water molecules to the CaCl2 salt present in the polymer matrix. Furthermore, the adsorbents were used successively for six cycles of adsorption with a very little loss in adsorption capacity. Therefore, the proposed polymer desiccant material overcomes the problem of dissolution of deliquescent salts and opens the doors for a new class of highly effective solid desiccant material.

The Crystal Structures of the Diastereoisomers (+)589-(Λ-δ-δ)-cis-Bis(ethylenediamine)dinitrocobalt(III)Hydrogen-D-tartrate Monohydrate and (-)589-(Λ-λ-λ)-cis-Bis(ethylenediamine)dinitrocobalt(III) Hydrogen-D-tartrate Dihydrate

1988 ◽  
Vol 41 (9) ◽  
pp. 1305 ◽  
Author(s):  
JM Frederiksen ◽  
E Horn ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Layer Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Tartrate Anion

The crystal structures of the diastereoisomers formed between the hydrogen-D-tartrate anion and the cations (+)-(Λ-[Co(en)2(NO2)2]+ (1) and (-)-(Δ)-[Co(en)2(NO2)2]+ (2) have been determined by three-dimensional X-ray analysis. The crystal structures are comprised of octahedrally coordinated cobalt atoms, hydrogentartrate anions and water molecules interconnected by a complex hydrogen bonding network. In (1), columns of complex parallel to a 21 screw axis along a, are linked via hydrogen bonding contacts to a total of six chains of 'head-to-tail' hydrogentartrate strands. In contrast, in (2) the chains of hydrogentartrate anions associate with each other to form well defined 'walls' which sandwich hydrogen-bonded columns of complex cations such that the structure may be thought of as a layer structure of hydrogentartrate anions and complex cations. Crystals of both compounds are orthorhombic, space group P212121 with Z = 4, unit cell parameters for (1): a 7.670(1), b 12.160(1), c 18.028(1)Ǻ, V 1681.4 Ǻ3 and for (2): a 7.735(2), b 8.505(5), c 26.846(9) Ǻ, V 1766 1 Ǻ3. The structures were each refined by a full-matrix least-squares procedure to final R 0.026, Rw 0.027 for 1764 reflections with I ≥ 2.5σ(I) for (1) and R 0.065, Rw 0.073 for 1322 reflections for (2).

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