The Infrared and Raman Spectra of Dimethyliodoarsine

1972 ◽  
Vol 50 (16) ◽  
pp. 2691-2696 ◽  
Author(s):  
H. F. Shurvell ◽  
M. R. Gold ◽  
A. R. Norris
Keyword(s):  
Raman Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Laser Raman ◽  
Laser Raman Spectra ◽  
Modes Of Vibration ◽  
Normal Coordinate Calculation

The infrared and laser–Raman spectra of liquid dimethyliodoarsine, (CH3)2AsI, have been recorded. Assignments of the observed frequencies have been made to the 24 normal modes of vibration of the molecule. A normal coordinate calculation has been carried out in support of the assignment.

Normal Coordinate Analysis of Benitoite (BaTiSi3O9) and its Constituent Ring

1992 ◽  
Vol 291 ◽  
Author(s):  
Charles C. Kim ◽  
M. I. Bell ◽  
D. A. McKeown
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Structure Space ◽  
New Information ◽  
Atomic Interactions ◽  
Modes Of Vibration

ABSTRACTThe normal modes of vibration and their frequencies are calculated for benitoite, a mineral whose crystal structure (space group D23h) consists of three-membered silicate rings (Si3O9) linked by Ba+2 and Ti+4 ions. The calculation unambiguously assigns the normal modes to the lines in the Raman and infrared spectra and determines the atomic interactions. On the assumption that mode mixings and splittings due to inter-ring interactions are small, the normal frequencies of the isolated ring of C3h, symmetry are determined. The identification of normal modes characteristic of three-membered silicate rings may prove to be a valuable guide in the interpretation of the infrared and Raman spectra of amorphous silicates, potentially leading to new information on the ring statistics of these materials.

The Vibrational Spectrum and Urey-Bradley Force Constants of the Trifluoromethyltrifluoroborate(1-) Anion

1973 ◽  
Vol 27 (3) ◽  
pp. 209-213 ◽  
Author(s):  
John F. Jackovitz ◽  
Charles E. Falletta ◽  
James C. Carter
Keyword(s):  
Potential Energy ◽  
Vibrational Spectrum ◽  
Energy Distribution ◽  
Force Field ◽  
Raman Spectra ◽  
Normal Modes ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate

Infrared and Raman spectra for (K+) (CF3BF3−) have been obtained from 4000 to 50 cm−1. Spectral assignments were made on the basis of C3v symmetry using both 10B and 11B compounds. In addition, a normal coordinate analysis was performed to obtain the potential energy distribution of the normal modes. A Urey-Bradley type force field was used, and force constants obtained for the CF3 and BF3 groupings were compared to those in C2F6 and BF4−.

INFRARED AND RAMAN SPECTRA OF 1-CHLOROPROPYNE AND 1-CHLOROPROPYNE-d3

1955 ◽  
Vol 33 (7) ◽  
pp. 1226-1249 ◽  
Author(s):  
D. W. Davidson ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectra ◽  
Isotope Effects ◽  
Infrared And Raman Spectra ◽  
Coriolis Coupling ◽  
Coupling Coefficients ◽  
Normal Coordinate ◽  
Vapor State ◽  
Complete Assignment ◽  
Stretching Vibration ◽  
Normal Coordinate Calculation

The infrared spectra of 1-chloropropyne and 1-chloropropyne-d3 have been investigated in the vapor state, in solution, and, in part, in the liquid over the spectral region 3 to 35 μ. Intensities of the infrared bands have been measured from the spectra of the solutions. The Raman spectra of the compounds in the liquid state, together with standard intensities and depolarization ratios of the Raman bands, were obtained. A complete assignment, based on a normal-coordinate calculation of the fundamentals, has been made. Coriolis coupling coefficients of three of the perpendicular-type fundamentals of CH3≡CCl were determined and those of the other two shown to be near unity. Two coupling coefficients for CD3C≡CCl were obtained. The potential function and isotope effects on Raman intensity and Raman displacement of the CCl stretching vibration are discussed.

Laser Raman Spectra and Normal Coordinate Analysis of Some Uranyl Tetrachloride Complexes

1980 ◽  
Vol 34 (3) ◽  
pp. 327-331 ◽  
Author(s):  
Ken Ohwada
Keyword(s):  
Raman Spectra ◽  
Point Group ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Normal Coordinate ◽  
Magic Formula ◽  
Vibrational Assignments ◽  
Laser Raman ◽  
Laser Raman Spectra ◽  
Group D

Laser Raman spectra of uranyl tetrachloride complexes [K2UO2Cl4, Rb2UO2Cl4, Cs2UO2Cl4, (NH4)2UO2Cl4] have been measured in the region from 3500 to 10 cm−1. Vibrational assignments as well as normal coordinate analyses have been carried out with the assumption that all the complexes contain discrete (UO2Cl4)2− ions belonging to a point group D4h. To understand the nature of the uranyl bonds in the complexes, approximate π-bonding energies of such bonds have been estimated from the U—O stretching force constants. The reliability of the values obtained are discussed in detail on the basis of Mulliken's magic formula.

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

Matrix Infrared and Laser Raman Spectra, Molecular Structures and Normal Coordinate Analyses of Germanium Difluoride, Monomer GeF2, and Dimer (GeF2)2

1974 ◽  
Vol 52 (1) ◽  
pp. 95-99 ◽  
Author(s):  
H. Huber ◽  
E. P. Kündig ◽  
G. A. Ozin ◽  
A. Vander Voet
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Normal Coordinate Analysis ◽  
Molecular Structures ◽  
Planar Structure ◽  
Normal Coordinate ◽  
Warm Up ◽  
Laser Raman ◽  
Laser Raman Spectra

Matrix infrared and laser Raman spectra are reported for GeF2 and (GeF2)2 in both N2 and Ar matrices. Raman depolarization measurements for the monomer in N2 matrices identify ν1 at 653 cm−1. Warm-up experiments identify infrared and Raman lines at 665, 478 cm−1 and 669, 465, and 424 cm−1 respectively, with the first stage of the polymerization of GeF2 monomer and are assigned to GeF stretching modes of the dimer (GeF2)2, having a centrosymmetric C2h, non-planar structure, containing a double fluorine bridge similar to the structure proposed for (SeO2)2. A normal coordinate analysis is performed on the dimer using a force field transferred from the monomer. The results provide additional evidence for the correctness of the vibrational and stereochemical assignments for the dimer.

Lattice Vibration Spectra. XX. Infrared and Raman Spectra of BaCl2•2H2O and BaCl2•2D2O

1978 ◽  
Vol 32 (6) ◽  
pp. 541-547 ◽  
Author(s):  
H. D. Lutz ◽  
W. Pobitschka ◽  
B. Frischemeier ◽  
R.-A. Becker
Keyword(s):  
Raman Spectra ◽  
Bond Angle ◽  
Lattice Vibration ◽  
Infrared And Raman Spectra ◽  
Raman Intensity ◽  
Laser Raman ◽  
Isotopic Shifts ◽  
Laser Raman Spectra ◽  
Asymmetric Force ◽  
Ir And Raman

The infrared absorption and laser Raman spectra of BaCl2·2H2O powder and single crystals as well as BaCl2·2D2O, partially deuterated, and isotopically dilute samples have been analyzed in the range from 30 to 4000 cm−1. A revised interpretation of the observed water bands is given. The influence of the bond angle of the H2O molecules both on Raman intensity of the water modes and frequency shift of the bending fundamentals is discussed. The librational modes are assigned with regard to isotopic shifts and intensities of these modes in the ir and Raman spectra. The predicted splitting of librational fundamentals of HDO molecules, which are in an asymmetric force field, has been observed. The amount of intramolecular and intermolecular coupling of the H2O vibrations is discussed.

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.

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