Vibrational spectra and analysis of normal vibrations of associates of methyl-N-methylcarbamate, formed by hydrogen bonds

1981 ◽  
Vol 34 (2) ◽  
pp. 192-197 ◽  
Author(s):  
L. I. Maklakov ◽  
A. L. Furer ◽  
V. L. Furer ◽  
N. A. Zhikhareva ◽  
V. V. Alekseev
Keyword(s):  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Normal Vibrations ◽  
Analysis Of Normal Vibrations

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 and normal vibrations of bromofluorobenzene isomers—I

1963 ◽  
Vol 19 (3) ◽  
pp. 669-674 ◽  
Author(s):  
G. Varsányi ◽  
S. Holly ◽  
T. Faragó
Keyword(s):  
Vibrational Spectra ◽  
Normal Vibrations

Vibrational spectra, normal vibrations and rotational isomerism of alkylsilanes

1979 ◽  
Vol 52 ◽  
pp. 1-11 ◽  
Author(s):  
Hiromu Murata ◽  
Hiroatsu Matsuura ◽  
Keiichi Ohno ◽  
Tsutomu Sato
Keyword(s):  
Vibrational Spectra ◽  
Rotational Isomerism ◽  
Normal Vibrations

Unique Structures and Vibrational Spectra of Protic Ionic Liquids Confined in TiO2 Slits: The Role of Interfacial Hydrogen Bonds

Langmuir ◽  
2018 ◽  
Vol 34 (44) ◽  
pp. 13449-13458 ◽  
Author(s):  
Zhongyang Dai ◽  
Lili Shi ◽  
Linghong Lu ◽  
Yunhao Sun ◽  
Xiaohua Lu
Keyword(s):  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Protic Ionic Liquids

Das Kombinationsschwingungsspektrum von Gips im Bereich von 10 000—1200 cm-1

1968 ◽  
Vol 23 (5) ◽  
pp. 708-715 ◽  
Author(s):  
V. Hohler ◽  
H. D. Lutz
Keyword(s):  
Hydrogen Bonds ◽  
Ir Spectrum ◽  
Room Temperature ◽  
Polarized Light ◽  
Water Molecules ◽  
Lattice Vibrations ◽  
Frequency Range ◽  
Sulfate Ions ◽  
Normal Vibrations

The IR-spectrum of gypsum (CaSO4·2 H2O) in the frequency range from 10 000 to 1200 cm-1 has been investigated with polarized light at room temperature. Between 3700 and 1200 cm-1, the measurements confirm the data of HASS and SUTHERLAND and as well as those of SCHAAK derived from IR and reflection measurements. The IR-spectrum shows a great number of bands, most of which can be assigned to combination and fundamental vibrations in terms of normal vibrations of the water molecules and the sulfate ions. The influence of the lattice vibrations is briefly discussed. The existence of hydrogen bonds between the water molecules and the sulfate ions gives rise to combinations of fundamental vibrations of both complexes.

The Vibrational Spectra of NH4VO3 at Elevated Temperatures and Pressures

1987 ◽  
Vol 42 (7) ◽  
pp. 843-852 ◽  
Author(s):  
A . M. Heyns ◽  
M. W. Venter ◽  
K.-J. Range
Keyword(s):  
Hydrogen Bonds ◽  
Temperature Dependence ◽  
Vibrational Spectra ◽  
Elevated Temperatures ◽  
Structural Data ◽  
Volume Effect ◽  
Ambient Conditions ◽  
Hydrogen Bond Interactions ◽  
Diamond Anvil ◽  
Pressure Changes

Abstract Results obtained from the vibrational spectra of NH4VO3 and its deuterated analogues show that at least two types of hydrogen bond interactions can be identified at am bient conditions. In accordance with the structural data on NH4VO3 (F. C. Hawthorne and C. Calvo, J. Solid State Chem. 22, 157 (1977)) these interactions are assigned to normal, strong hydrogen bonds and weaker bifurcated ones, respectively. The temperature dependence of some of the N -H bands indicates that the normal hydrogen bonds decrease in strength with increasing temperatures, while the bifurcated ones tend to increase in strength. The NH4+ ions do not show fluxional behaviour at ambient conditions and even the bifurcated hydrogen bonds are of the type that is dominated by acceptor strength of the anions and not by a volume effect. The Ram an active NH4+ vibrations are very weak compared to the V - O modes and could not all be observed in the highpressure diamond anvil cell. The temperature dependence of the V - O Ram an active modes suggests that changes in the crystals of NH4VO3 brought about by the application of heat mainly involve the O -V -O angles, while pressure changes are mostly accommodated by changes in the V -O bridging bonds and O -V -O bridging angles.

A Theoretical Study Of The Energetics And Vibrational Spectra Of Oxygenated (100) Diamond Surfaces

1995 ◽  
Vol 416 ◽  
Author(s):  
S. Skokov ◽  
B. Weiner ◽  
M. Frenklach
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Theoretical Study ◽  
Local Environment ◽  
Hydroxyl Groups ◽  
Vibrational Modes ◽  
Diamond Surfaces ◽  
Molecular Dynamics Calculations

ABSTRACTStatic quantum ab initio and quantum semiempirical molecular dynamics calculations were employed to study reconstructions of (100) diamond surfaces in presence of hydrogen and oxygen. The results indicate that the energetically most favorable structures of oxygenated surfaces are those with chemisorbed hydroxyl groups. It was found that hydrogen bonds are formed among chemisorbed oxygenated species. The formation of these hydrogen bonds is shown to be an important factor in stabilization of adlayers. A number of important vibrational modes characteristic of oxygenated diamond surfaces were identified. The analysis of surface vibrational spectra demonstrates the influence of the local environment on the position of vibrational modes and can be useful for interpretation of experimental data.

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