Infrared spectra of KH2F3 and the structure of the H2F3− ion

1967 ◽  
Vol 45 (12) ◽  
pp. 1347-1350 ◽  
Author(s):  
A. Ažman ◽  
A. Ocvirk ◽  
D. Hadži ◽  
Paul A. Giguère ◽  
Michel Schneider
Keyword(s):  
Solid State ◽  
Infrared Spectra ◽  
Infrared Absorption ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Hydrogen Atoms ◽  
Normal Coordinate ◽  
Bending Modes

The infrared absorption of KH2F3 and KD2F3in the solid state was measured between 4 000 and 200 cm−1 The observed bands can be assigned to the stretching and bending modes of the bent H2F3− ion. A normal coordinate analysis was carried out to determine the Urey–Bradley force constants. The results suggest that the hydrogen atoms are not exactly halfway between two fluorine atoms, contrary to the case of the HF2− ion.Les spectres infrarouges de KH2F3 et KD2F3 à l'état solide ont été mesurés entre 4 000 et 200 cm−1 afin d'identifier les vibrations fondamentales de l'anion H2F3−. Les constantes de forces de rappel selon le modèle de Urey–Bradley ont pu être déterminées par analyse des coordonnées normales. Les résultats indiquent que les atomes d'hydrogène ne sont pas exactement à mi-chemin entre deux atomes de fluor, contrairement au cas de l'ion HF2−.

Vibration spectra of sulphur tetranitride

1981 ◽  
Vol 46 (11) ◽  
pp. 2613-2619 ◽  
Author(s):  
Jiří Toužín
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Vibration Spectra

Available data on infrared and Raman spectra of S4N4 in solid state and solutions have been verified and completed. On the basis of normal coordinate analysis an attempt has been made to define with more precision the interpretation of vibration spectra of this compound given in earlier reports.

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.

Infrared spectra and normal coordinate analysis of thiocarbonato complexes

1974 ◽  
Vol 30 (4) ◽  
pp. 1059-1067 ◽  
Author(s):  
Allan Cormier ◽  
Kazuo Nakamoto ◽  
P. Christophliemk ◽  
Achimm Müller
Keyword(s):  
Infrared Spectra ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate

Schwingungsberechnungen des Hexathiometadiphosphatanions P2S62-

1988 ◽  
Vol 43 (5) ◽  
pp. 494-496 ◽  
Author(s):  
Lothar Ohse ◽  
Wolfgang Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Field Potential ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
Initial Force

A normal coordinate analysis for the Hexathiometadiphosphate anion P2S62- was performed, based on a simple initial force field. The force field was refined by adjusting the symmetry force constants to approximate the observed frequencies. The final force field, potential energy distribution (PED) and mean amplitudes of vibration are also given. Based on the normal coordinate analysis a new assignment of the P2S62- frequencies is proposed.

Darstellung, Schwingungsspektren und Normalkoordinatenanalyse der 10B-und 11B-Isotopomeren von [B2(NCS)6]2- sowie Kristallstruktur von (Ph3P=N=PPh3)2[B2(NCS)6] / Preparation, Vibrational Spectra and Normal Coordinate Analysis of the 10B and 11B Isotopomers of [B2(NCS)6]2- and Crystal Structure of (Ph3P=N=PPh3)2[B2(NCS)6]

1996 ◽  
Vol 51 (4) ◽  
pp. 551-556 ◽  
Author(s):  
W. Preetz ◽  
B. Steuer
Keyword(s):  
Crystal Structure ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Fractionated Crystallization ◽  
Good Agreement

Abstract By reaction of [B6H6]2- with a solution of (SCN)2 in dichloromethane in the presence of solid KOH the hexaisothiocyanatodiborate anion [B2(NCS)6]2- is formed and can be isolated by fractionated crystallization. The crystal structure of (PNP)2[B2(NCS)6] has been determined by single crystal X-ray diffraction analysis; triclinic space group P1̄ with a=12,282(5), b=12,416(5), c=14,155(5)Å, a=68,36(5), β=70,59(5), γ=80,93(5)°.The [B2(NCS)6]2- anion reveals a staggered conformation with nearly local D3d symmetry and a B-B bond length of 1,73(2) Å. Using the crystallographic data a normal coordinate analysis has been performed. With a set of 12 force constants (e.g. fd(BB)=3,62, fd(BN)=4,21 mdyn/Å) a good agreement between observed and calculated frequencies for the 10B and 11B isotopomers has been achieved. The potential energy distribution on the force constants reveals strong vibrational couplings within the B2N6 framework.

Infrared spectra and normal coordinate analysis of metal—glycolato complexes

1965 ◽  
Vol 21 (3) ◽  
pp. 379-388 ◽  
Author(s):  
Kazuo Nakamoto ◽  
Paul J. McCarthy ◽  
Birute Miniatas
Keyword(s):  
Infrared Spectra ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate
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