Nitroethane at high density: an experimental and computational vibrational study

2021 ◽  
Vol 23 (15) ◽  
pp. 9325-9336
Author(s):  
Akio Yoshinaka ◽  
Serge Desgreniers ◽  
Anguang Hu
Keyword(s):  
High Pressure ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Unit Cell ◽  
High Density ◽  
Monoclinic Unit Cell ◽  
Vibrational Study

Raman and IR vibrational spectra confirm two molecular units associated with the monoclinic unit cell of nitroethane under high pressure. Raman spectra are extremely sensitive to predicted effects of unit cell distortion due to changes in H-bonding.

Synthesis, crystal and molecular structure, and vibrational spectra of the complex (COOH)2•2H2O•18-crown-6

1986 ◽  
Vol 64 (1) ◽  
pp. 142-147 ◽  
Author(s):  
Suzanne Deguire ◽  
François Brisse ◽  
Jacques Ouellet ◽  
Rodrigue Savoie
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Infrared And Raman Spectra ◽  
O 18 ◽  
Stoichiometric Complex

A stoichiometric complex of formula (COOH)2•2H2O•18-crown-6 has been obtained from oxalic acid and the macrocyclic polyether 18-crown-6. The crystals of the complex have a monoclinic unit cell and belong to the P21/c space group. The components in the adduct are linked through hydrogen bonds in a polymer-like fashion: -crown–H2O–HOOCCOOH–OH2–crown–, where the oxalic acid molecules are present in two distinct disordered orientations. The infrared and Raman spectra of the complex are also reported and interpreted.

Vibrational Spectra of N2H5HC2O4 and N2D5DC2O4

1975 ◽  
Vol 53 (9) ◽  
pp. 1387-1392 ◽  
Author(s):  
R. Savoie ◽  
M. Guay
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Low Temperature ◽  
Crystal Structures ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Unit Cell ◽  
Infrared And Raman Spectra ◽  
Solid Phases ◽  
High Temperature Modification

Infrared and Raman spectra of N2H5HC2O4 and N2D5DC2O4 have been recorded at various temperatures between 77 and 300 K. The results at 300 K are consistent with the known crystal structures of these solids. A phase transition has been detected at ∼ 240 K in N2D5DC2O4 and although there are similarities between the two stable solid phases of this compound, the low-temperature form appears to be centrosymmetric and to have a larger unit cell than the high-temperature modification.

Similarity of vibrational spectra of high-density amorphous ice and high-pressure phase ice VI

1995 ◽  
Vol 213-214 ◽  
pp. 474-476 ◽  
Author(s):  
A.I. Kolesnikov ◽  
V.V. Sinitsyn ◽  
E.G. Ponyatovsky ◽  
I. Natkaniec ◽  
L.S. Smirnov
Keyword(s):  
High Pressure ◽  
Vibrational Spectra ◽  
High Density ◽  
High Pressure Phase ◽  
Amorphous Ice ◽  
Pressure Phase

Spectres Raman de N2H4 et N2D4 à l'état cristallin

1969 ◽  
Vol 47 (2) ◽  
pp. 201-208 ◽  
Author(s):  
M. Guay ◽  
R. Savoie
Keyword(s):  
Neutron Diffraction ◽  
Crystal Structures ◽  
Raman Spectra ◽  
Unit Cell ◽  
Lattice Vibrations ◽  
X Ray ◽  
Space Groups ◽  
Monoclinic Unit Cell

Raman spectra of crystalline N2H4 and N2D4 have been recorded at various temperatures between −70 and −195 °C. The splitting of the internal modes, the large number of active lattice vibrations, and the apparent non-coincidence of infrared and Raman bands cannot be explained on the basis of the crystal structures obtained from X-ray and neutron-diffraction studies. The results suggest instead a monoclinic unit cell described by one of the C2h space groups and containing four molecules located in general positions.

Vibrational spectra of mercury(II) and methylmercury(II) thiocyanates

1969 ◽  
Vol 22 (10) ◽  
pp. 2117 ◽  
Author(s):  
RPJ Cooney ◽  
JR Hall
Keyword(s):  
Raman Spectrum ◽  
Solid State ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Unit Cell ◽  
Infrared And Raman Spectra

The Raman spectra of Hg(SCN)2 in both the solid state and in solution have been recorded and interpreted in conjunction with the infrared spectra. For the solid state the Raman shifts for Hg-S stretching, S-C stretching, and C-N stretching are 270, 721, and 2112 cm-1 respectively. In diglyme solution the corresponding values are 278, 692, and 2139 cm- 1. The infrared and Raman spectra of CH3HgSCN in the solid state do not contain any coincidences which may indicate that the unit cell is centrosymmetric. The Raman spectrum of CH3HgSCN in CH3OH solution shows strong, sharp, polarized lines at 283, 540, 1186, and 2138 cm-1 which are attributed to Hg-S stretching, Hg-C stretching, CH3 deformation, and C-N stretching modes respectively.

Vibrational spectra of aquadioxotetra; peroxodivanadates(V) M2[V2O2(O2)4(H2O)]·xH2O (M = N(CH3)4, Cs)

1990 ◽  
Vol 55 (6) ◽  
pp. 1485-1490 ◽  
Author(s):  
Peter Schwendt ◽  
Milan Sýkora
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Empirical Correlations ◽  
Normal Coordinate ◽  
Bond Lengths ◽  
Stretching Vibrations

The infrared and Raman spectra of M2[V2O2(O2)4(H2O)]·xH2O and M2[V2O2(O2)4(D2O)]·xD2O (M = N(CH3)4, Cs) were measured. In the region of the vanadium-oxygen stretching vibrations, the spectra were interpreted based on normal coordinate analysis, employing empirical correlations between the bond lengths and force constants.

scholarly journals High density of shear bands in the Vitreloy bulk metallic glass subjected to high-pressure torsion

2021 ◽  
Vol 1008 ◽  
pp. 012031
Author(s):  
Vasily Astanin ◽  
Dmitry Gunderov ◽  
Zhi Qiang Ren ◽  
Ruslan Valiev ◽  
Jing Tao Wang
Keyword(s):  
High Pressure ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
High Pressure Torsion ◽  
Shear Bands ◽  
High Density
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