Dynamical and structural properties of adsorbed water molecules at the TiO2 anatase-(1 0 1) surface: Importance of interfacial hydrogen-bond rearrangements

2020 ◽  
Vol 743 ◽  
pp. 137164 ◽  
Author(s):  
Joan Margineda ◽  
Niall J. English
Keyword(s):  
Hydrogen Bond ◽  
Structural Properties ◽  
Adsorbed Water ◽  
Water Molecules ◽  
Tio2 Anatase

High proton conductivity in a nickel(ii) complex and its hybrid membrane

2019 ◽  
Vol 48 (6) ◽  
pp. 2190-2196 ◽  
Author(s):  
Shuai-Liang Yang ◽  
Yue-Ying Yuan ◽  
Fei Ren ◽  
Chen-Xi Zhang ◽  
Qing-Lun Wang
Keyword(s):  
Hydrogen Bond ◽  
Proton Conductivity ◽  
Hybrid Membrane ◽  
Water Molecules ◽  
Hybrid Membranes ◽  
High Proton Conductivity ◽  
High Proton ◽  
Hydrogen Bond Networks

A novel 2D nickel(ii) complex (1) has been successfully synthesized using a 2,2′-bipyridyl, polycarboxylsulfonate ligand H4SBTC and Ni2+ ions. Owing to the presence of abundant water molecules, hydrogen bond networks and other protons, 1 and its hybrid membranes demonstrate high proton conductivity.

Restricted Rotational Motion of InterlayerWaterMolecules in Vanadium Pentoxide Hydrate, V2O5·n D2O, as Studied by Deuterium NMR

2002 ◽  
Vol 57 (6-7) ◽  
pp. 419-424 ◽  
Author(s):  
Sadamu Takeda ◽  
Yuko Gotoh ◽  
Goro Maruta ◽  
Shuichi Takahara ◽  
Shigeharu Kittaka
Keyword(s):  
Double Layer ◽  
Vanadium Pentoxide ◽  
Rotational Motion ◽  
Interlayer Space ◽  
Layer Structure ◽  
Bond Distance ◽  
Adsorbed Water ◽  
Deuterium Nmr ◽  
Water Molecules ◽  
Layer Structures

The rotational behavior of the interlayer water molecules of deuterated vanadium pentoxide hydrate, V2O5.nD2O, was studied by solid-state deuterium NMR for the mono- and double-layer structures of the adsorbed water molecules. The rotational motion was anisotropic even at 355 K for both the mono- and double-layer structures. The 180° flipping motion about the C2-symmetry axis of the water molecule and the rotation around the figure axis, which makes an angle Ɵ with the C2-axis, occurred with the activation energy of (34±4) and (49±6) kJmol-1, respectively. The activation energies were almost independent of the mono- and double-layer structures of the water molecules, but the angle Ɵ made by the two axes varied from 33° for the monolayer to 25° for the double-layer at 230 K. The angle started to decrease above 250 K (e. g. the angle was 17 at 355 K for the double-layer structure). The results indicate that the average orientation of the water molecules in the two dimensional interlayer space depends on the layer structure and on the temperature. From the deuterium NMR spectrum at 130 K, the quadrupole coupling constant e2Qq/h = 240 kHz and the asymmetry parameter η= 0.12 were deduced. These values indicate the average hydrogen bond distance R(O H) = 2.0 Å for the D2O molecules in the 2D-interlayer space

scholarly journals Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)cobalt(II) pentahydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m702-m702 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Jie Li ◽  
Pei-Wen Qin ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Organic Ligand ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoIIatom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H...O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H...O hydrogen bond is also observed.

Relaxation dynamics of surface-adsorbed water molecules in nanoporous silica probed by terahertz spectroscopy

2015 ◽  
Vol 107 (8) ◽  
pp. 081607 ◽  
Author(s):  
Yu-Ru Huang ◽  
Kao-Hsiang Liu ◽  
Chung-Yuan Mou ◽  
Chi-Kuang Sun
Keyword(s):  
Terahertz Spectroscopy ◽  
Adsorbed Water ◽  
Nanoporous Silica ◽  
Water Molecules ◽  
Relaxation Dynamics

scholarly journals Synthesis and Complexation Properties of 2-Hydroxy-5-methoxyphenylphosphonic Acid (H3L1). Crystal Structure of the [Cu(H2L1)2(Н2О)2] Complex

2021 ◽  
Vol 91 (11) ◽  
pp. 2176-2186
Author(s):  
G. S. Tsebrikova ◽  
Yu. I. Rogacheva ◽  
I. S. Ivanova ◽  
A. B. Ilyukhin ◽  
V. P. Soloviev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Methoxy Group ◽  
Protonation Constants ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Stability ◽  
Intramolecular Hydrogen ◽  
Oxygen Atoms

Abstract 2-Hydroxy-5-methoxyphenylphosphonic acid (H3L1) and the complex [Cu(H2L1)2(H2O)2] were synthesized and characterized by IR spectroscopy, thermogravimetry, and X-ray diffraction analysis. The polyhedron of the copper atom is an axially elongated square bipyramid with oxygen atoms of phenolic and of monodeprotonated phosphonic groups at the base and oxygen atoms of water molecules at the vertices. The protonation constants of the H3L1 acid and the stability constants of its Cu2+ complexes in water were determined by potentiometric titration. The protonation constants of the acid in water are significantly influenced by the intramolecular hydrogen bond and the methoxy group. The H3L1 acid forms complexes CuL‒ and CuL24‒ with Cu2+ in water.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals 2,2′-Bipyridin-1-ium hemioxalate oxalic acid monohydrate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Anna Jezuita
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Oxalic Acids

The asymmetric unit of the title compound, C10H9N2 +·0.5C2O4 2−·C2H2O4·H2O, consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water molecule. One N atom in 2,2′-bipyridine is unprotonated, while the second is protonated and forms an N—H...O hydrogen bond. In the crystal, the anions are connected with surrounding acid molecules and water molecules by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the anions and oxalic acids; their O atoms participate as donors and acceptors, respectively, in O—H...O hydrogen bonds, which form sheets arranged parallel to the ac plane.

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