scholarly journals Normal coordinate analises of (CH3)3PO as free molecule and in complexes with MCl5 (Sb, Nb e Ta)

2018 ◽  
Vol 3 (1) ◽  
pp. 35 ◽  
Author(s):  
O L. Alves
Keyword(s):  
Free Molecule ◽  
Normal Coordinate

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Schwingungsspektrum und Normalkoordinatenanalyse von (AlPS4)n-Polymerketten

1985 ◽  
Vol 40 (9) ◽  
pp. 909-912 ◽  
Author(s):  
C. Wibbelmann ◽  
B. N. Cyvin ◽  
S. J. Cyvin
Keyword(s):  
Simple Model ◽  
Vibrational Spectrum ◽  
Ir Spectra ◽  
Crystal Lattice ◽  
Site Symmetry ◽  
Free Molecule ◽  
Normal Coordinate ◽  
A Chain ◽  
Lower Site ◽  
Raman And Ir Spectra

Abstract Vibrational Spectrum and Normal Coordinate Analysis of AIPS4 tetrahedral ChainsAIPS4 forms edge-sharing tetrahedral chains which are isosteric to SiS2. The Raman and IR spectra have been recorded and assigned on the basis of the D2d symmetry of the free molecule. Splittings of several bands due to the lower site-symmetry in the crystal lattice are treated subsequently using a correlation diagram. The frequencies of internal vibrations have been calculated using a simple model consisting of a chain fragments of various lengths.

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.

Complex formation and kinematic coupling: C2H4.PtCl3

1988 ◽  
Vol 53 (10) ◽  
pp. 2377-2384 ◽  
Author(s):  
Roman Řeřicha ◽  
Björg N. Cyvin ◽  
Jon Brunvoll ◽  
Sven J. Cyvin
Keyword(s):  
Complex Formation ◽  
Crystallographic Data ◽  
System Modelling ◽  
Vibrational Modes ◽  
Normal Coordinate ◽  
Kinematic Coupling ◽  
Fundamental Frequencies

Normal coordinate analyses including calculations of PED's were performed for C2H4.PtCl3 system modelling Zeise's anion, [(C2H4)PtCl3]-. The wedgewise distorsion of the C2H4 ligand known from the crystallographic data for Zeise's salt, was taken into account. Under these circumstances it was found that the kinematic couplings between the internal ligand and complex framework vibrational modes are rather small. The reliability of some existing assignments of the fundamental frequencies of Zeise's anion is discussed.

Darstellung, Schwingungsspektren und Normalkoordinatenanalyse von Chloro-Bromo-Rhodaten(III) / Preparation, Vibration Spectra and Normal Coordinate Analysis of Chloro-Bromo-Rhodates(III)

1989 ◽  
Vol 44 (10) ◽  
pp. 1221-1227 ◽  
Author(s):  
W. Preetz ◽  
W. Kuhr
Keyword(s):  
Exchange Chromatography ◽  
Trans Isomers ◽  
Normal Coordinate ◽  
Valence Force ◽  
Trans Influence ◽  
Diethylaminoethyl Cellulose ◽  
Point Groups ◽  
First Time ◽  
Ir And Raman ◽  
Good Agreement

The mixed chloro-bromo-rhodates(III) [RhClnBr6-n]3-, n = 1-5, have been separated for the first time by ion exchange chromatography on diethylaminoethyl-cellulose. Due to the stronger trans-effect of Br, as compared with Cl, on treatment of [RhBr6]3- with conc. HCl nearly pure cis/fac-isomers for n = 2, 3, 4 are formed. The reaction of [RhCl6]3- with conc. HBr yields mixtures of the cis/trans-isomers for n = 2, 4, which cannot be separated, but mer-[RhCl3Br3]3 is formed stereospecifically. The IR and Raman spectra of all isolated mixed ligand complexes are completely assigned according to point groups Oh, D3d, C4v, C3v and C2v, supported by normal coordinate analyses based on a general valence force field. The good agreement of calculated and observed frequencies confirms the assignments. Due to the stronger trans-influence of Br as compared to Cl, in all asymmetric Cl—Rh—Br axes the Rh—Br bonds are strengthened and the Rh—Cl bonds are weakened, indicated by valence force constants for Rh—Br approximately 14% higher, for Rh—Cl 10% lower, as compared with the values calculated for symmetric Br—Rh—Br and Cl—Rh—Cl axes, respectively.

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