Ionic force field of vibrational spectra of symmetrical hydrogen bonds

1986 ◽  
Vol 84 (9) ◽  
pp. 4774-4778 ◽  
Author(s):  
Yoshiki Matsui ◽  
Kiyoshi Ezumi ◽  
Kouji Iwatani
Keyword(s):  
Hydrogen Bonds ◽  
Force Field ◽  
Vibrational Spectra ◽  
Ionic Force

Infrared and Raman Spectra of Phthalimide-15N-H and Phthalimide-15N-D

1989 ◽  
Vol 43 (1) ◽  
pp. 118-122 ◽  
Author(s):  
J. F. Arenas ◽  
J. I. Marcos ◽  
F. J. Ramírez
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Molecular Geometry ◽  
The Other ◽  
Infrared And Raman Spectra ◽  
Intermolecular Hydrogen Bonds ◽  
Force Method

A study of the infrared and Raman spectra of previously synthesized phthalimide-15N-H and phthalimide-15N-D has been carried out. With the new data obtained, the vibrational spectra of the phthalimide molecule in a C2 v* symmetry has been reassigned, but taking into account that the molecule in the solid state forms dimers bonded by intermolecular hydrogen bonds; these dimers have a Ci symmetry. On the other hand, a semi-empiric calculation of the force fields of this molecule has been carried out by the MINDO/3-FORCE method, which required a prior optimization of the molecular geometry; the force field was transformed to the space of internal coordinates.

Vibrational spectra of stannane: Harmonic force field, Raman and IR intensities from ab initio correlated wavefunctions

1989 ◽  
Vol 130 (1-3) ◽  
pp. 451-456 ◽  
Author(s):  
Javier Fernandez Sanz ◽  
Antonio Marquez ◽  
Claude Pouchan
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Harmonic Force ◽  
Ir Intensities

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.

Schwingungsspektren und Kraftkonstanten der Hexacyano-Komplexe des Mangan(I), Technetium(I) und Rhenium(I) / Vibrational Spectra and Force Constants of the Hexacyano Complexes of Mangan(l), Technicium(I) and Rhenium(l)

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1193-1196 ◽  
Author(s):  
W. Krasser ◽  
K. Schwochau
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Point Group ◽  
Force Constants ◽  
Irreducible Representations ◽  
Infrared And Raman Spectra ◽  
Valence Force ◽  
Valence Force Field ◽  
Complex Salts

The infrared and Raman spectra of the complex salts K5[Mn(CN)6], K5[Tc(CN)6] and K5[Re(CN)s] have been recorded in the range from 4000 to 40 cm-1. All expected fundamental vibrations have been observed and could be assigned to the irreducible representations of the sym­metry point group Oh . The calculation of the force constants is based on the concept of the generalized valence force field. The low CN-valence force constants indicate the relatively strong Π-bonding character of the metal carbon bond, which is especially pronounced for K5[Tc(CN)6).

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

Vibrational Spectra, Assignments, and Valence Force Field for S-nitrosocysteine and Isotopic Analogs

1984 ◽  
Vol 38 (2) ◽  
pp. 200-203 ◽  
Author(s):  
D. Michael Byler ◽  
Heino Susi ◽  
Walter V. Gerasimowicz
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Valence Force ◽  
Valence Force Field
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