Schwingungsspektren von Derivaten des Pentaerythrits

1966 ◽  
Vol 21 (11) ◽  
pp. 1889-1898 ◽  
Author(s):  
G. Geiseler ◽  
L. Ratz
Keyword(s):  
Force Field ◽  
Absorption Spectra ◽  
Raman Spectra ◽  
Infrared Absorption ◽  
Matrix Method ◽  
Normal Coordinate ◽  
Normal Vibrations ◽  
Valence Force ◽  
Valence Force Field ◽  
Infrared Absorption Spectra

Infrared absorption spectra (4000—400 cm-1) and RAMAN spectra of the pentaerythritol halides have been examined. By comparison with spectra of similar compounds and by a normal coordinate analysis with the aid of the GF-Matrix-Method of WILSON and on the basis of a modified valence force field it was possible to assign a great deal of the normal vibrations. The influence of the halogen atoms on the frequency of characteristic vibrations has been discussed.

scholarly journals The Vibrational Spectra of Silane and Germane Derivatives. Part IV. The Infrared and Raman Spectra of the Iodo(methyl)germanes

1971 ◽  
Vol 49 (18) ◽  
pp. 2931-2936 ◽  
Author(s):  
J. W. Anderson ◽  
G. K. Barker ◽  
J. E. Drake And ◽  
R. T. Hemmings
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
A Priori ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Fundamental Frequencies

The infrared and Raman spectra of the series of iodo(methyl)germanes, CH3GeI3, (CH3)2GeI2, and (CH3)3GeI have been recorded. A normal coordinate analysis based on a modified valence force field confirms the a priori assignments for all of the fundamental frequencies except the torsional modes.

Studies of silyl and germyl group VI species. Part VI. Synthesis and vibrational spectra of methylthiosilanes

1981 ◽  
Vol 59 (19) ◽  
pp. 2909-2920 ◽  
Author(s):  
John E. Drake ◽  
Boris M. Glavinčevski ◽  
Layla N. Khasrou
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Group Vi ◽  
Valence Force ◽  
Valence Force Field ◽  
Ir And Raman

Methylthiosilanes of the type (CH3)nH3−nSiSCH3, n = 0–3, and (CH3)HSi(SCH3)2 have been prepared. Their ir and Raman spectra were recorded and assigned. The assignments were supported by normal coordinate analyses based on a modified valence force field.

Raman Spectra of Gases. XXII. (CH3)3SiCl, (CD3)3SiCl and Some Normal Coordinate Calculations on (CH3)3SiNCO and (CH3)3SiNCS

1979 ◽  
Vol 33 (4) ◽  
pp. 364-371 ◽  
Author(s):  
J. R. Durig ◽  
M. Jalilian
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Force Constants ◽  
Normal Coordinate ◽  
Vibrational Coupling ◽  
Valence Force ◽  
Vibrational Assignments ◽  
Valence Force Field ◽  
Normal Coordinate Calculation

The Raman spectra (0 to 3600 cm−1) of gaseous (CH3)3SiCl and (CD3)3SiCl have been recorded. It was possible to resolve the symmetric and antisymmetric SiC3 deformations. The spectra are discussed in detail and previous vibrational assignments are compared. A normal coordinate calculation has been carried out utilizing a modified simple valence force field. The extent of the vibrational coupling has been determined. It is believed that the main force constants should be transferable to other substituted trimethylsilyl compounds and this transferability is demonstrated by some normal coordinate calculations for trimethylsilylisocyanate and trimethylsilylisothiocyanate.

Force Field and Mean Amplitudes of Vibration of (NH2)2CX Compounds ( X = O, S, Se)

1982 ◽  
Vol 37 (11) ◽  
pp. 1289-1291
Author(s):  
Marcelo Campos ◽  
Guillermo Díaz
Keyword(s):  
Force Field ◽  
Matrix Method ◽  
Force Fields ◽  
Normal Coordinate Analysis ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
Valence Force ◽  
Valence Force Field

Normal coordinate analysis of urea, thiourea and selenourea was performed on the basis of the general valence force field; Wilson’s FG matrix method has been used. The final force fields were obtained through an iterative selfconsistent method. The vibrational assignment for these molecules is discussed. Calculated mean amplitudes of vibration for the urea series and their deuterated derivatives are reported.

Schwingungsspektren und Normalkoordinatenanalyse der Bromo-Iodo-Osmate(IV), [OsBrnI6-n]2-, n = 0-6 / Vibrational Spectra and Normal Coordinate Analysis of Bromo-Iodo-Osmates(IV), [OsBrnI6-n]2-, n = 0-6

1992 ◽  
Vol 47 (12) ◽  
pp. 1667-1672 ◽  
Author(s):  
W. Preetz ◽  
M. Manthey
Keyword(s):  
Low Temperature ◽  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate ◽  
Geometrical Isomers ◽  
Valence Force ◽  
Valence Force Field ◽  
Point Groups ◽  
Ir And Raman

The IR and Raman spectra of the ten bromo-iodo-osmates(IV) [OsBrnI6-n]2-, n = 0-6, including the geometrical isomers for n = 2, 3, 4, have been recorded at low temperature. The vibrational spectra are completely assigned according to point groups Oh, D4h, C4v, C3v, and C2v, as supported by normal coordinate analyses based on a general valence force field. Due to the different trans-influences Br<I in asymmetric axes Br′–Os–I′, the Os–I′ bonds are strengthened and the Os–Br′ bonds are weakened, as indicated by valence force constants, for Os–I′ on average 4% higher and for Os–Br′ 4% lower, as compared with the values calculated for symmetric I–Os–I and Br–Os–Br axes, respectively.

Etude expérimentale et théorique des spectres de vibration des dérivés di- et trisubstitués de l'isothiazole

1977 ◽  
Vol 55 (12) ◽  
pp. 2302-2309 ◽  
Author(s):  
Gilbert Mille ◽  
Michel Guiliano ◽  
Jacques Chouteau
Keyword(s):  
Solid State ◽  
Absorption Spectra ◽  
Raman Spectra ◽  
Infrared Absorption ◽  
Liquid Solution ◽  
Etude Expérimentale ◽  
Normal Vibrations ◽  
Modes Of Vibration ◽  
Infrared Absorption Spectra ◽  
Étude Expérimentale

The infrared absorption spectra in different physical states (liquid, solution, vapor) and the Raman spectra in the liquid or solid state of di- and trisubstituted isothiazole derivatives have been analyzed. For some compounds a study of the normal vibrations has also been done. An assignment of the fundamental modes of vibration of these molecules is given and discussed.

The vibrational spectra of some phenylmercuric halides and diphenylmercury

1977 ◽  
Vol 30 (9) ◽  
pp. 1905 ◽  
Author(s):  
CG Barraclough ◽  
GE Berkovic ◽  
GB Deacon
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Phenylmercuric Chloride ◽  
Good Agreement

The Raman spectra of phenylmercuric chloride, phenylmercuric bromide, phenylmercuric iodide and diphenylmercury, and the infrared and Raman spectra of diphenylmercury in solution are reported. Using the previously reported infrared spectra of these compounds, vibrations were assigned, normal coordinate analyses were performed and frequencies were calculated using a valence force field. Good agreement was achieved between observed and calculated frequencies. The structure of diphenyl-mercury in solution is discussed.

scholarly journals Darstellung, schwingungsspektren und Normalkoordinatenanalyse der Bromo-Iodo-Rhenate(IV), [ReRrnI6-n]2-, n = 0-6 / Preparation, vibrational spectra, and normal coordinate analysis of bromo-iodo-rhenates(iv), [ReRrnI6-n]2-, n = 0-6

1994 ◽  
Vol 49 (6) ◽  
pp. 753-758 ◽  
Author(s):  
P. Prillwitz ◽  
W. Preetz
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Geometrical Isomers ◽  
Valence Force ◽  
Valence Force Field ◽  
Point Groups ◽  
Ir And Raman

The IR and Raman spectra of the ten bromo-iodo-rhenates(IV) [ReBrnI6-n]2-, n = 0 -6 , including the geometrical isomers for n - 2,3,4, have been recorded at 80 K. The vibrational spectra are completely assigned according to point groups Oh, D4h, C4v, C3v, and C2v, as supported by normal coordinate analyses based on a general valence force field. Due to the different mms-influences Br < I in asymmetric axes Br•-Re-I', the Re-I' bonds are strengthened and the Re-Br• bonds are weakened, as indicated by valence force constants, for Re-I' on average 8,5% higher and for Os-Br• 8,3% lower, as compared with the values calculated for symmetric I-Re-I and Br-Re-Br axes, respectively

Vibrational analysis of alkyl bromides. II. Secondary bromides

1977 ◽  
Vol 55 (19) ◽  
pp. 3413-3419 ◽  
Author(s):  
G. A. Crowder ◽  
Maurice Iwunze
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Analysis ◽  
Average Error ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Valence Force ◽  
Vibrational Assignments ◽  
Valence Force Field ◽  
Alkyl Bromides

Infrared and Raman spectra were obtained for 2-bromopentane, 3-bromopentane, 2-bromohexane, and 3-bromohexane. Vibrational assignments were made for several conformers of each compound with the aid of normal coordinate calculations. A 48 parameter modified valence force field was obtained that fit 221 frequencies of three conformers of 2-bromopentane, 4 conformers of 3-bromopentane, and 1 conformer of 2-bromobutane with an average error of 4.1 cm−1. This force field was transferred to the bromohexanes, with good results.

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).

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