Low-Frequency Raman Spectra from Anhydrous Sulfuric and Chlorosulfonic Acids, and Liquid Water—Disruption of Tetrahedral Hydrogen Bonding—Relation to Water Structure

1994 ◽  
pp. 169-179 ◽  
Author(s):  
Y. C. Chu ◽  
G. E. Walrafen
Keyword(s):  
Hydrogen Bonding ◽  
Raman Spectra ◽  
Liquid Water ◽  
Low Frequency ◽  
Water Structure

Understanding water structure from Raman spectra of isotopic substitution H2O/D2O up to 573 K

2017 ◽  
Vol 19 (32) ◽  
pp. 21540-21547 ◽  
Author(s):  
Qingcheng Hu ◽  
Haiwen Zhao ◽  
Shunli Ouyang
Keyword(s):  
Hydrogen Bonding ◽  
Raman Spectra ◽  
Water Structure ◽  
Free Water ◽  
Isotopic Substitution ◽  
Structure Model ◽  
Single Donor ◽  
Hydrogen Bonded

The OH/OD stretch band features on Raman spectra of isotopic substitution H2O/D2O at temperatures up to 573 K are correlated with a multi-structure model that water has five dominant hydrogen bonding configurations: tetrahedral, deformed tetrahedral, single donor, single hydrogen bonded water and free water.

Ab initio spectroscopy of water under electric fields

2019 ◽  
Vol 21 (38) ◽  
pp. 21205-21212 ◽  
Author(s):  
Giuseppe Cassone ◽  
Jiri Sponer ◽  
Sebastiano Trusso ◽  
Franz Saija
Keyword(s):  
Ab Initio ◽  
Raman Spectra ◽  
Electric Fields ◽  
Liquid Water ◽  
High Frequency ◽  
Water Structure ◽  
Ir And Raman Spectra ◽  
Bulk Liquid ◽  
Librational Mode ◽  
Ir And Raman

IR and Raman spectra of bulk liquid water under intense electric fields reveal the contraction of both spectra and the onset of a novel high-frequency librational mode band. Moreover, the water structure evolves toward “ice-like” arrangements.

Low-frequency Raman spectra of liquid water: A molecular dynamics simulation

1989 ◽  
Vol 159 (4) ◽  
pp. 383-387 ◽  
Author(s):  
V. Mazzacurati ◽  
M.A. Ricci ◽  
G. Ruocco ◽  
M. Sampoli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Raman Spectra ◽  
Liquid Water ◽  
Low Frequency ◽  
Dynamics Simulation

scholarly journals Hydrogen Bonds: Raman Spectroscopic Study

2021 ◽  
Vol 22 (10) ◽  
pp. 5380
Author(s):  
Boris A. Kolesov
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Spectroscopic Study ◽  
Raman Spectra ◽  
Temperature Region ◽  
Vibrational Frequency ◽  
Chemical Compounds ◽  
Raman Spectroscopic ◽  
Raman Spectroscopic Study ◽  
Proton Dynamics

The work outlines general ideas on how the frequency and the intensity of proton vibrations of X–H×××Y hydrogen bonding are formed as the bond evolves from weak to maximally strong bonding. For this purpose, the Raman spectra of different chemical compounds with moderate, strong, and extremely strong hydrogen bonds were obtained in the temperature region of 5 K–300 K. The dependence of the proton vibrational frequency is schematically presented as a function of the rigidity of O-H×××O bonding. The problems of proton dynamics on tautomeric O–H···O bonds are considered. A brief description of the N–H···O and C–H···Y hydrogen bonds is given.

Relationship between Hydrogen-Bonding Motifs and the 1b1 Splitting in the X-ray Emission Spectrum of Liquid Water

2021 ◽  
Vol 12 (16) ◽  
pp. 3996-4002
Author(s):  
Vinícius Wilian D. Cruzeiro ◽  
Andrew Wildman ◽  
Xiaosong Li ◽  
Francesco Paesani
Keyword(s):  
Hydrogen Bonding ◽  
Emission Spectrum ◽  
Liquid Water ◽  
X Ray

Raman Spectra of Solid (NH4)2CrO4 and (ND4)2CrO4 Obtained by a Rotating Cell Technique

1976 ◽  
Vol 30 (2) ◽  
pp. 187-190 ◽  
Author(s):  
Robert L. Carter ◽  
L. Kevin O'Hare
Keyword(s):  
Hydrogen Bonding ◽  
Alkali Metal ◽  
Raman Spectra ◽  
Sampling Technique ◽  
Solid Sampling ◽  
Monoclinic Structure ◽  
Ammonium Ions ◽  
Cylindrical Cell ◽  
Sample Rotation ◽  
Rotation Technique

The Raman spectra of polycrystalline (NH4)2CrO4 and (ND4)2CrO4 have been obtained by a sample rotation technique where the uncompressed solid is contained in a glass cylindrical cell. The apparatus is a commerically available sample rotator for liquids, which was modified for the described solid sampling technique. The Raman spectra of (NH4)2CrO4 and (ND4)2CrO4 are discussed in relation to their uniquely monoclinic structure, in contrast to the β-K2SO4 structure found for (NH4)2SO4 and many alkali metal chromates and sulfates. The hydrogen bonding in (NH4)2CrO4 is described, and its role in determining both the structure and the Raman spectra is discussed. The data suggest a barrier to NH4+ rotation of approximately 3.70 kcal/mol, indicating that the ammonium ions are not freely rotating on the time scale of the Raman experiment (10−13 sec).

Low frequency Raman spectra of the liquid and plastic crystal phases of O2, N2, CO, and of Ar crystals with these molecules as guests

1982 ◽  
Vol 60 (9) ◽  
pp. 1358-1364 ◽  
Author(s):  
N. H. Rich ◽  
M. J. Clouter ◽  
H. Kiefte ◽  
S. F. Ahmad
Keyword(s):  
Single Crystals ◽  
Raman Spectra ◽  
Phonon Mode ◽  
Low Frequency ◽  
Impurity Molecule ◽  
Spectral Features ◽  
Background Impurity ◽  
Crystal Phases ◽  
Distinct Features ◽  
Frequency Feature

Low frequency Raman spectra of single crystals of orientationally disordered phases of oxygen, nitrogen, and carbon monoxide, and spectra of those substances as liquids show two linear segments in semi-log plots. Slopes of the higher frequency segments are nearly equal for all cases; slopes of the lower frequency segments are particular to the substance and are nearly the same in both liquid and crystal for O2 and CO. Spectra of single crystals of argon doped with O2, N2, or CO show two distinct features superimposed on a sloping background. Impurity molecule reorientation apparently accounts satisfactorily for all spectral features, but translation–rotation coupling may allow a contribution to the higher frequency feature arising from a local phonon mode in argon.

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