Electron-hydrogen bonds and OH harmonic frequency shifts in water cluster complexes with a group 1 metal atom, M(H2O)n (M=Li and Na)

2000 ◽  
Vol 112 (13) ◽  
pp. 5705-5710 ◽  
Author(s):  
Takeshi Tsurusawa ◽  
Suehiro Iwata
Keyword(s):  
Hydrogen Bonds ◽  
Metal Atom ◽  
Water Cluster ◽  
Harmonic Frequency ◽  
Frequency Shifts ◽  
Cluster Complexes ◽  
Group 1

The role of hydrogen bonds involving the metal atom in protonation of polyhydrides of molybdenum and tungsten of MH4(dppe)2

1995 ◽  
Vol 493 (1-2) ◽  
pp. 275-277 ◽  
Author(s):  
E.S. Shubina ◽  
A.N. Krylov ◽  
N.V. Belkova ◽  
L.M. Epstein ◽  
A.P. Borisov ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Metal Atom ◽  
And Tungsten

scholarly journals Relaxation Processes of Water Molecules on Surfaces of Highly Dispersed Silica and Titania/Silica

1996 ◽  
Vol 14 (5) ◽  
pp. 331-337 ◽  
Author(s):  
V.I. Zarko ◽  
V.M. Gun'ko
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Water Cluster ◽  
Water Molecules ◽  
Relaxation Processes ◽  
Theoretical Simulation ◽  
Highly Dispersed Silica ◽  
Highly Dispersed ◽  
Simulation Results ◽  
Silica And Titania

Analyses of dielectric spectra and theoretical simulation results demonstrate that the most probable sites for water cluster adsorption are the B-sites at the TiO2/SiO2 (TS) phase boundary regions and the SiOH groups on the SiO2 phase in TS. The amount of water on SiO2 in TS is lower than for pure SiO2 for the same content of water at the TiO2/SiO2 and SiO2 surfaces. The energy necessary for the rotation of a water molecule is a maximum for molecules linked via one electron-donor bond M←OH2 and three hydrogen bonds with other water molecules.

Spectral manifestations of strong hydrogen bonds in seven-membered rings of pyrazolecarboxylic acid derivatives

1979 ◽  
Vol 44 (3) ◽  
pp. 781-787 ◽  
Author(s):  
Emil Svátek ◽  
Viktor Zikán ◽  
Miroslav Semonský
Keyword(s):  
Hydrogen Bonds ◽  
Ir Spectra ◽  
Frequency Shift ◽  
Bond Order ◽  
Electronic System ◽  
Uv Spectra ◽  
Carboxyl Group ◽  
Opinion Formation ◽  
Frequency Shifts ◽  
Resonance Stabilization

Strong downward frequency shifts of ν(C=O) of benzoyl or carboxyl group have been found in IR spectra of some pyrazolecarboxylic acid derivatives, and bathochromic shifts of maximum of the first band of π-π* transition have been found in their UV spectra, which can be explained by the presence of strong hydrogen bonds in seven-membered rings. Considerable frequency shift of ν(C=O) indicates lowering of order of this bond which is comparable with the bond order lowering of C=O group in six-membered conjugated chelates of the type of enolized β-diketones. In our opinion, formation of strong hydrogen bonds in seven-membered rings in pyrazolecarboxylic acids is due to the presence of the adjoining five-membered aromatic ring, which enables resonance stabilization of the whole π-electronic system in a pseudo-azulene structure.

scholarly journals Bis(acetato-κO)bis(thiourea-κS)cobalt(II)

2014 ◽  
Vol 70 (3) ◽  
pp. m78-m78
Author(s):  
Martin Lutz
Keyword(s):  
Hydrogen Bonds ◽  
Metal Atom ◽  
Title Compound ◽  
Three Dimensional ◽  
Tetrahedral Coordination ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Distorted Tetrahedral Coordination

The title compound, [Co(CH3COO)2(CH4N2S)2], is isotypic with the corresponding ZnIIcomplex. The metal atom is in a distorted tetrahedral coordination environment with the two S atoms from two thiourea ligands and two O atoms from two acetate anions as the coordinating atoms. All H atoms of the thiourea ligands are involved in N—H...O and N—H...S hydrogen bonds, leading to a three-dimensional network.

Uncovering Individual Hydrogen Bonds in Rotaxanes by Frequency Shifts

2010 ◽  
Vol 132 (2) ◽  
pp. 484-494 ◽  
Author(s):  
Barbara Kirchner ◽  
Christian Spickermann ◽  
Werner Reckien ◽  
Christoph A. Schalley
Keyword(s):  
Hydrogen Bonds ◽  
Frequency Shifts

Geometry of the magic number H+(H2O)21 water cluster by proxy

2015 ◽  
Vol 17 (7) ◽  
pp. 5466-5473 ◽  
Author(s):  
Mauritz Johan Ryding ◽  
Róbert Izsák ◽  
Patrick Merlot ◽  
Simen Reine ◽  
Trygve Helgaker ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Experimental Determination ◽  
Water Cluster ◽  
Magic Number

Substituting H2O with tert-butanol allows for the experimental determination of the number of dangling hydrogen bonds in the H+(H2O)21 cluster.

Sign in / Sign up

Export Citation Format

Share Document