Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. III. Polydichlorophosphazene

1982 ◽  
Vol 36 (3) ◽  
pp. 277-281 ◽  
Author(s):  
M. M. Coleman ◽  
J. Zarian ◽  
P. C. Painter
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Reasonable Agreement ◽  
Normal Modes ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field

Vibrational spectra and normal coordinate calculations of polydichlorophosphazene (PDP) are presented. The valence force field derived previously from the two conformers of octachlorocyclotetraphosphazene was directly transferred to a distorted “cis-plan” helical model of PDP without refinement. A reasonable agreement between the observed and calculated frequencies was obtained and the assignment of the normal modes of PDP is discussed.

Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. II. Octachlorocyclotetraphosphazene

1982 ◽  
Vol 36 (3) ◽  
pp. 272-277 ◽  
Author(s):  
J. Zarian ◽  
P. C. Painter ◽  
M. M. Coleman
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Good Agreement

Vibrational spectra and normal coordinate calculations of octachlorocyclotetraphosphazene (OCTP) are presented. A common valence force field for the two conformers (T and K forms) of OCTP has been developed. A good agreement between the observed and calculated frequencies of OCTP was obtained and the assignments of the normal modes are discussed.

Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. I. Hexachlorocyclotriphosphazene

1982 ◽  
Vol 36 (3) ◽  
pp. 265-271 ◽  
Author(s):  
P. C. Painter ◽  
J. Zarian ◽  
M. M. Coleman
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field

Vibrational spectra and normal coordinate calculations of hexachlorocyclotriphosphazene (HCTP) are presented. Attempts to obtain a common valence force field for HCTP and the two conformers of octachlorocyclotetraphosphazene which were not successful, are discussed. The force field obtained for HCTP is, by necessity, relatively simple. Nevertheless, we have been able to make assignments of the normal modes and resolve some apparent discrepancies in the literature.

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.

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.

Normalkoordinatenanalyse der 35Cl/37Cl-markierten Fluoro-Chloro-Platinate(IV), Cs2[PtFnCl6-n], n = 0-6 / Normal Coordinate Analysis of the 35Cl/37Cl Labelled Fluoro-Chloro-Platinates(IV), Cs2[PtF„Cl6-n, n = 0 – 6

1989 ◽  
Vol 44 (10) ◽  
pp. 1214-1220 ◽  
Author(s):  
P. Erlhöfer ◽  
W. Preetz
Keyword(s):  
Force Field ◽  
Raman Line ◽  
Excellent Agreement ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Geometric Isomers ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Trans Influence

Normal coordinate analyses for all compounds of the two series Cs2[PtF„35Cl6-n] and Cs2[PtF„37Cl6-n], n = 0-6, including the geometric isomers for n = 2, 3, 4 have been performed, based on a general valence force field. The excellent agreement of calculated and observed frequencies confirms the assignments of the vibrational spectra. Due to the stronger trans influence of Cl compared to F in all asymmetric F–Pt–Cl axes the Pt–Cl bonds are strengthened and the Pt–F bonds are weakened, as indicated by valence force constants for Pt–Cl approximately 20% higher, for Pt–F 20% lower, compared with the values calculated for symmetric Cl–Pt–Cl and F–Pt–F axes, respectively. The contour of the Raman line ν2 (Eg, Oh) of Cs2[PtCl6] is explained by the superposition of the calculated spectra for the six most frequent isotopomers Cs2[Pt35Cln37Cl6-n] present in mixtures with natural abundance of Cl isotopes (75,53% 35Cl, 24,47% 37Cl) by statistical distribution on the octahedron sites.

Champ de force de valence et modes normaux de vibration de la glycylglycine et du monochlorhydrate monohydrate de glycylglycine

1974 ◽  
Vol 52 (14) ◽  
pp. 2590-2602 ◽  
Author(s):  
Christian Destrade ◽  
Eliane Dupart ◽  
Monique Joussot-Dubien ◽  
Chantal Garrigou-Lagrange
Keyword(s):  
Solid State ◽  
Force Field ◽  
Vibrational Spectra ◽  
Molecular Conformation ◽  
Normal Modes ◽  
Valence Force ◽  
Valence Force Field ◽  
Modes Of Vibration

The valence force field and normal modes of vibration of α-glycylglycine have been calculated using the vibrational spectra of ten isotopic derivatives, selectively labeled with deuterium or nitrogen-15. It is shown that this force field permits the determination of the frequencies of glycylglycine-hydrochloride in the solid state, despite a structure very different from that of the zwitterion. The agreement is particularly satisfying for those modes of vibration most sensitive to molecular conformation. It is thus possible to use this type of calculation to determine the conformation of an oligopeptide.

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.

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

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