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.

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.

Normalscliwingungen von Alkalifeldspäten

1977 ◽  
Vol 146 (1-3) ◽  
pp. 1-18 ◽  
Author(s):  
Manfred O. von Stengel
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Frequency Range ◽  
Average Deviation ◽  
Valence Force ◽  
Valence Force Field ◽  
Modes Of Vibration ◽  
Alkali Feldspars

AbstractThe normal modes of vibration of various alkali feldspars were calculated on the basis of a simple harmonic valence force field. Infrared and Raman spectra were recorded over the whole frequency range. With 7 force constants for ordered feldspars and 5 constants for disordered feldspars the calculated frequencies could be fitted with an average deviation of 10–16 cm

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.

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).

Vibrational Spectra, Assignments, and Valence Force Field for S-nitrosocysteine and Isotopic Analogs

1984 ◽  
Vol 38 (2) ◽  
pp. 200-203 ◽  
Author(s):  
D. Michael Byler ◽  
Heino Susi ◽  
Walter V. Gerasimowicz
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Valence Force ◽  
Valence Force Field

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.

Valence Force Field of CX3YZ2and the Vibrational Spectra of CF3NO2, CCl3NO2, and CBr3NO2

1966 ◽  
Vol 44 (4) ◽  
pp. 1577-1584 ◽  
Author(s):  
Alex Castelli ◽  
Ann Palm ◽  
Chester Alexander
Keyword(s):  
Force Field ◽  
Vibrational Spectra ◽  
Valence Force ◽  
Valence Force Field
Sign in / Sign up

Export Citation Format

Share Document