Notizen:Schwingungsspektrum und Kraftfeld von Natriumhexanitrokobaltat

1969 ◽  
Vol 24 (10) ◽  
pp. 1667-1668
Author(s):  
Wolfgang Krasser
Keyword(s):  
Raman Spectrum ◽  
Force Field ◽  
Point Group ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Selection Rules ◽  
Valence Force ◽  
Valence Force Field ◽  
Infrared Data

Abstract The Raman spectrum of Na3[Co(NO,)8] has been mea-sured in the range from 2000 to 50 cm 1 and the vibrational frequencies and their assignment are compared with infrared data already obtained. The force constants are calculated in the valence force field. With respect to vibrational spectro-scopy the CoN6-octaeder and the N02-group are assumed to be approximately two separate units. The justification of this approximation is discussed on the basis of the Raman spec-trum and the selection rules for the Symmetrie point group S6 of Na3 [Co (N02) 6]. Gefärbte Substanzen mit Absorptionsbanden im kurzwelligen sichtbaren Spektralbereich eignen sich vorzüglich für die Aufnahme des Raman-Spektrums, wenn man einen He —Ne-Laser mit seinem relativ lang-welligen Erregerlicht einsetzt 1 . Ein Molekül mit

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).

On the application of OVFF to MX6 type ions

1972 ◽  
Vol 27 (5) ◽  
pp. 867-869 ◽  
Author(s):  
J. N. Rai ◽  
S. N. Tiwary ◽  
S. N. Rai
Keyword(s):  
Force Field ◽  
Point Group ◽  
Force Constants ◽  
Valence Force ◽  
Valence Force Field

AbstractForce constants for nine ions belonging to Oh point group have been evaluated by using Orbital Valence Force Field. The constants have been compared with their values obtained by using Urey-Bradley Force Field. The validity of the two methods has been discussed

Kraftkonstanten des VO43- -Ions im Zirkon-Gitter [1] / Force Constants of the VO43- Ion in the Zircon Lattice

1980 ◽  
Vol 35 (10) ◽  
pp. 1110-1111 ◽  
Author(s):  
Marta E. Escobar ◽  
Enrique J. Baran
Keyword(s):  
Rare Earth ◽  
Raman Spectrum ◽  
Force Field ◽  
Force Constants ◽  
Tetragonal Modification ◽  
Valence Force ◽  
Valence Force Field ◽  
First Time ◽  
Rare Earth Orthovanadates ◽  
Zircon Type

Abstract Force Constants of the VO43- Ion in the different rare earth orthovanadates of the zircon type have been computed using a modified valence force field and recently reported Raman data. It is shown that the V-O bond strenghtening runs parallel to the unit cell contraction. The Raman spectrum of the tetragonal modification of LaVO4 is reported for the first time.

Notizen:Schwingungseigenschaften des TeO42- -Ions/ Vibrational Properties of the TeO42--Ion

1978 ◽  
Vol 33 (10) ◽  
pp. 1226-1227
Author(s):  
Enrique J. Baran
Keyword(s):  
Force Field ◽  
Related Species ◽  
Force Constants ◽  
Vibrational Properties ◽  
Bond Orders ◽  
Mean Amplitudes Of Vibration ◽  
Valence Force ◽  
Valence Force Field ◽  
Complete Assignment

Abstract A complete assignment of the fundamental vibrations of the tetrahedral TeO42- ion is proposed and its principal force constants have been calculated using the modified valence force field. Mean amplitudes of vibration and bond orders are also estimated. The results are briefly discussed and some comparisons with related species are made.

Gitterschwingungsspektren

1976 ◽  
Vol 31 (7) ◽  
pp. 847-852 ◽  
Author(s):  
H. D. Lutz ◽  
P. Willich ◽  
H. Haeuseler
Keyword(s):  
Force Field ◽  
Long Range ◽  
Force Constants ◽  
The Other ◽  
Valence Force ◽  
Normal Coordinates ◽  
Valence Force Field ◽  
Symmetry Coordinates ◽  
Ir Frequencies ◽  
Good Agreement

Abstract Force constants and normal coordinates of MnS2 , FeS2 , RuS2, RuSe2, RuTe2, OsS2 and PtP2 are calculated based on the five ir active vibrations of the pyrite lattice. By setting up a valence force field consisting of short and long range M -X, X2 -X2 and M -M stretching constants it has proved possible to obtain good agreement between experimental and calculated frequencies with expection of FeS2 and RuS2 . The force constants corresponding to the shortest metal chalcogen distances (MnS2: 0.30, RuSe2: 0.88, RuTe2: 0.62, OsS2: 1.32, PtP2: 1.22 mdyn/Å) are mainly responsible for the ir frequencies. For RuSe2 and RuTe2, the forces between adjacent X2 groups are not negligible. Whereas the force constants of OsS2 and PtP2 are of comparable strength, the forces in MnS2 are significantly weaker than those in the other compounds. The normal coordinates of MnS2, OsS2 and PtP2 , and RuSe2 and RuTe2 show significant differences according to both the contribution of the 6 symmetry coordinates to the 5 ir active vibrations and the assignment of the spectra.

New Measurements of the Infrared Spectrum of H2S2 and D2S2 and Evaluation of the Molecular Force Field

1968 ◽  
Vol 23 (6) ◽  
pp. 832-839 ◽  
Author(s):  
Brenda P. Winnewisser ◽  
Manfred Winnewisser
Keyword(s):  
Infrared Spectrum ◽  
Force Field ◽  
Force Constants ◽  
Valence Force ◽  
Valence Force Field ◽  
Fundamental Frequencies ◽  
New Information ◽  
Molecular Force ◽  
Combination Bands ◽  
First Time

The infrared spectrum of H2S2 has been reviewed in the range 4000 to 250 cm-1 and the spectrum of D2S2 has been measured for the first time. No change in the basic assignment of the fundamental bands of H2S2 has been made, although the stretching fundamentals and the combination bands can be more precisely assigned on the basis of the new information.With the six fundamental frequencies of H2S2 and the two asymmetric fundamental frequencies of D2S2 , calculations were made to determine as fully as possible the general valence force field. It was found that only the diagonal force constants could be determined on the basis of the available data:FSH = 4.08 - 4.09 md/Å, Fa = 0.83 - 0.85 md A/rad2,FSS = 2.52 -2.62 md/Å, Ft = 0.0926 md Å/rad2.

Orbital Valence Force Field Constants of Tetrachlorides, Tetrabromides and Tetraiodides of Titanium, Zirconium and Hafnium

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1211-1212
Author(s):  
A. N. Pandey ◽  
D. Sharma ◽  
H. Mital
Keyword(s):  
Force Field ◽  
Relative Strength ◽  
Force Constants ◽  
Jones Potential ◽  
Valence Force ◽  
Valence Force Field ◽  
Lennard Jones ◽  
Titanium Zirconium ◽  
Raman Spectral Data ◽  
Raman Spectral

Abstract The orbital valence force field has been employed to calculate the force constants for tetra-chlorides, tetrabromides, and tetraiodides of titanium, zirconium, and hafnium making use of recent vapor-phase Raman spectral data. The results are compared with the Urey-Bradley force constants, and it has been found that these are well comparable. The applicability of the Lennard-Jones potential has been examined to understand the nature of non-bonded interactions. The force constants have also been utilized to study the relative strength of the chemical bonds in tetrahalides and hexahalide anions

Schwingungsspektren und Kraftkonstanten der Hexahalogeno-Komplexe des Technetium(IV) und Rhenium(IV)

1969 ◽  
Vol 24 (3) ◽  
pp. 403-407 ◽  
Author(s):  
Klaus Schwochau ◽  
Wolfgang Krasser
Keyword(s):  
Force Field ◽  
Infrared Spectra ◽  
Force Constants ◽  
Octahedral Structure ◽  
Fundamental Vibration ◽  
Rhenium Complexes ◽  
Valence Force ◽  
Valence Force Field ◽  
Bond Stretching

The Raman and infrared spectra of the potassium and caesium salts of [TcX6]-- and [ReX6]-- (X = F, Cl, Br, I) have been measured in the range from 1000 to 45 cm-1. The force constants are determined in the valence force field and in the standard Urey-Bradley field on the basis of the Oh-symmetry. The fundamental vibration ν6 is calculated from the force constants. Apart from the fluoro-compounds the bond-stretching force constants of the technetium complexes are shown to be smaller than those of the analogous rhenium complexes. Except for the iodo-compounds a distortion of the octahedral structure progressive in degree towards X = F can be concluded from the splitting of degeneracies.

Darstellung und spektroskopische Charakterisierung der Oxorhenate(V), [ReOI4]–und [ReO(SCF3)4]–/ Preparation and Spectroscopic C haracterization of the Oxorhenates(V), [ReOI4]–and [ReO(SCF3)4]–

1993 ◽  
Vol 48 (1) ◽  
pp. 44-47 ◽  
Author(s):  
W. Preetz
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Ligand Exchange ◽  
Nmr Spectra ◽  
Point Group ◽  
Exchange Reactions ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
First Time

By ligand exchange reactions of (n-Bu4N )[ReOBr4] with NaI dissolved in acetone pure (n-Bu4N )[ReOI4], and with AgSCF3 suspended in dichloromethane (n-Bu4N )[ReO(SCF3)4] have been prepared for the first time. The vibrational spectra of both complexes are assigned according to point group C4v, supported by normal coordinate analysis based on a general valence force field. 13C and ,19F NMR spectra provide evidence for the equivalence o f the SCF3 groups.

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