The Dipole Moment Derivative of the Hydrogen Bond in Ice

1972 ◽  
Vol 50 (3) ◽  
pp. 310-314 ◽  
Author(s):  
E. Whalley
Keyword(s):  
Hydrogen Bond ◽  
Dipole Moment ◽  
Infrared Spectrum ◽  
Effective Charge ◽  
Far Infrared ◽  
Quadrupole Moments ◽  
Charge Distributions ◽  
Hydrogen Bond Interactions ◽  
Integrated Intensity

The dipole moment derivative of the hydrogen bond in ice has been calculated assuming that the molecules can be represented as non-overlapping polarizable charge distributions characterized by dipole and quadrupole moments. The value is 0.1 electron charges which is about one third of the experimental value obtained from the far-infrared spectrum. The model predicts therefore only about one tenth of the experimental integrated intensity from which the effective charge was derived. Most of the intensity must therefore be due to specific hydrogen-bond interactions.

Pressure-induced absorption in nonpolar gases containing tetrahedral molecules

1976 ◽  
Vol 54 (5) ◽  
pp. 611-617 ◽  
Author(s):  
A. D. Buckingham ◽  
A. J. C. Ladd
Keyword(s):  
Dipole Moment ◽  
Field Gradient ◽  
Infrared Radiation ◽  
Far Infrared ◽  
Spectral Moment ◽  
Induced Absorption ◽  
Integrated Intensity ◽  
Tetrahedral Molecules ◽  
Spherical Molecule ◽  
Far Infrared Radiation

The theory of pressure-induced absorption of far infrared radiation by gases is extended to include the contribution of the dipole moment induced in a molecule by the field gradient due to its neighbours. This dipole is nonzero when the molecule lacks a centre of inversion, as in a tetrahedron. In the collision of two tetrahedra, the dipole induced in molecule 2 by the electric field of the octopole moment Ω1 of the partner leads to transitions in which ΔJ(1) = 0, ± 1, ±2, ±3, and ΔJ(2) = 0. The dipole induced by the field gradient of Ω1 leads to ΔJ(1) = 0, ±1, ±2, ±3, and ΔJ(2) = 0, ±1, ±2, ±3, and therefore gives a required increase in absorption at higher frequencies. The field-gradient contribution vanishes in a collision involving a tetrahedral and a spherical molecule. General expressions are given for the field-gradient contributions to the integrated intensity and to the −2 spectral moment.

scholarly journals A Study on the Transversal Optical Mode in Amorphous Gallium Arsenide

1998 ◽  
Vol 21 (3) ◽  
pp. 209-211
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro
Keyword(s):  
Gallium Arsenide ◽  
Dipole Moment ◽  
Matrix Element ◽  
Infrared Spectrum ◽  
Far Infrared ◽  
Moment Matrix ◽  
Optical Mode ◽  
Structural Disorders

Contributions to the far-infrared spectrum corresponding to both dynamical and structural disorders in a-GaAs are examined when frequency coincides with the transversal optical mode. Under these circumstances, dipole moment matrix element is discussed.

Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide

2018 ◽  
Vol 20 (5) ◽  
pp. 3029-3039 ◽  
Author(s):  
Hajime Torii
Keyword(s):  
Hydrogen Bond ◽  
Infrared Spectrum ◽  
Bond Length ◽  
Far Infrared ◽  
Hydrogen Bond Length ◽  
Intensity Enhancement ◽  
Infrared Spectral ◽  
Spectral Intensities

Intermolecular charge fluxes induced by hydrogen-bond length modulations occurring upon molecular librations lead to intensity enhancement of the far-infrared spectrum.

The collision-induced translational spectrum of CF4–He gas mixtures

1980 ◽  
Vol 58 (6) ◽  
pp. 836-839 ◽  
Author(s):  
A. D. Afanasev ◽  
M. O. Bulanin ◽  
M. V. Tonkov
Keyword(s):  
Dipole Moment ◽  
Infrared Spectrum ◽  
Far Infrared ◽  
Gas Mixtures ◽  
Moment Function ◽  
Band Shape ◽  
Induced Dipole

The collision-induced far infrared spectrum of CF4–He gas mixtures was measured at 213 K. It is shown that the observed enhancement of the absorption represents the translational spectrum induced by isotropic overlap forces. The band shape calculations are consistent with the assumption that the collision-induced dipole moment varies exponentially with intermolecular separation, and the parameters of the dipole moment function have been determined.

scholarly journals Intermolecular Hydrogen-Bond Interactions in DPPE and DMPC Phospholipid Membranes Revealed by Far-Infrared Spectroscopy

2021 ◽  
Vol 11 (21) ◽  
pp. 10038
Author(s):  
Valeria Conti Nibali ◽  
Caterina Branca ◽  
Ulderico Wanderlingh ◽  
Giovanna D’Angelo
Keyword(s):  
Hydrogen Bond ◽  
Infrared Spectroscopy ◽  
Intermolecular Hydrogen Bond ◽  
Far Infrared ◽  
Infrared Region ◽  
Frequency Region ◽  
Far Infrared Spectroscopy ◽  
Intermolecular Hydrogen Bonds ◽  
Hydrogen Bond Interactions ◽  
Vibrational Bands

The vibrational signature in the far-infrared region of two different phospholipids, phosphatidylcholine (PC) and phosphatidylethanolamine (PE), was investigated as a function of relative humidity from 0 to 75% in order to evaluate the effect of headgroup composition on the formation of intermolecular interactions. The substructures of the frequency region between 50 and 300 cm−1 were identified, and changes in the frequency and intensity of the related vibrations with hydration were analyzed. Interestingly, in PE, two additional vibrational bands with respect to PC were found at 162 and 236 cm−1 and assigned to intermolecular hydrogen bonds between the hydrogen-bond-donating groups, -NH3+, and hydrogen-bond-accepting groups, —P—O− and —COO, of adjacent molecules. The presence of these interactions also affected the penetration of water, severely reducing the hydration capability of PE lipids.

The far infrared spectrum of H2O2 observed and calculated rotational levels of the torsional states : (n, τ) = (0, 1), (0, 3) and (1, 1)

1988 ◽  
Vol 49 (11) ◽  
pp. 1901-1910 ◽  
Author(s):  
F. Masset ◽  
L. Lechuga-Fossat ◽  
J.-M. Flaud ◽  
C. Camy-Peyret ◽  
J.W.C. Johns ◽  
...  
Keyword(s):  
Infrared Spectrum ◽  
Far Infrared

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Far Infrared Group Frequencies. V. Oximes and Aldoximes

1973 ◽  
Vol 27 (1) ◽  
pp. 22-26 ◽  
Author(s):  
S. M. Craven ◽  
F. F. Bentley ◽  
D. F. Pensenstadler
Keyword(s):  
Hydrogen Bond ◽  
Infrared Spectra ◽  
Low Frequency ◽  
Far Infrared ◽  
Torsional Vibrations ◽  
Lattice Vibrations ◽  
Dilute Solutions ◽  
Solid Samples ◽  
Bending Modes ◽  
Bond Stretch

The low frequency infrared spectra from 450 to 75 cm−1 of seven oximes and five aldoximes have been recorded for pure samples and for dilute solutions in cyclohexane. An intense characteristic band is present in the solution spectra at 367 ± 10 cm−1. This characteristic band shifts to 275 ± 10 cm−1 in the spectra of the OD compounds. The 367 ± 10 cm−1 and 275 ± 10 cm−1 bands are assigned to OH and OD torsional vibrations. A comparison of the solution spectra with spectra of the solid samples indicated that the OH … N hydrogen bond stretch of oximes and aldoximes occurs in 300 to 200 cm−1 region. Strong bands also are present in 140 to 100 cm−1 region which are due to OH … N bending modes or perhaps lattice vibrations.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

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