Measurement and interpretation of infrared and raman spectra of vanadyl acetylacetonate

1987 ◽  
Vol 52 (3) ◽  
pp. 686-695 ◽  
Author(s):  
Blanka Vlčková ◽  
Bohuslav Strauch ◽  
Milan Horák
Keyword(s):  
Raman Spectra ◽  
Complex Molecule ◽  
Normal Modes ◽  
Simplified Model ◽  
Central Metal Atom ◽  
Vanadium Complex ◽  
Central Metal ◽  
Infrared And Raman Spectra ◽  
Vanadyl Acetylacetonate ◽  
Spectral Bands

Infrared and Raman spectra of oxobis (2,4-pentandionate) vanadium complex have been studied. A reduction of the number of spectral bands observed in the IR and Raman spectra compared to the theoretical number of normal modes expected for a complex molecule is attributed to the isolation effect of the heavy central metal atom. A simplified model involving the skeleton of the complex and one coordinated ligand has been employed for an empirical interpretation of the vibrational spectra. An exact agreement between the number of modes predicted theoretically on the basis of the simplified model and the number of bands observed experimentally has been obtained.

Measurement and interpretation of infrared and raman spectra of bis(2,4-pentandionate)complexes of Cu(II) and Pd(II)

1985 ◽  
Vol 50 (2) ◽  
pp. 306-316 ◽  
Author(s):  
Blanka Vlčková ◽  
Bohuslav Strauch ◽  
Milan Horák
Keyword(s):  
Raman Spectra ◽  
Metal Atom ◽  
The Other ◽  
Ir And Raman Spectra ◽  
Particle Model ◽  
Central Metal Atom ◽  
Central Metal ◽  
Infrared And Raman Spectra ◽  
Empirical Interpretation ◽  
Ir And Raman

Infrared and Raman spectra of Cu(II) bis(2,4-pentandionate) and Pd(II) bis(2,4-pentandionate) complexes have been measured and interpreted. The coincidence of numerous bands in the IR and Raman spectra has been explained by the isolation effect of the heavy central metal atom which prevents the vibrational interaction of the two ligands in the chelate molecule with each other. An 11-particle model consisting of all the atoms of one ligand (both CH3 groups are taken as the point masses), a central metal atom and two oxygen atoms of the other ligand has been proved to be most adequate for the empirical interpretation of the spectra.

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−.

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 SPECTRA OF SULPHURYL AND THIONYL HALIDES

1961 ◽  
Vol 39 (11) ◽  
pp. 2171-2178 ◽  
Author(s):  
R. J. Gillespie ◽  
E. A. Robinson
Keyword(s):  
Raman Spectrum ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Fundamental Frequencies

New assignments are proposed for the fundamental frequencies of SOF2, SOCl2, SO2Cl2, SO2F2, and SO2FBr, based on new measurements of the Raman spectrum of SO2Cl2 and previous measurements of the infrared and Raman spectra of these molecules. The fundamental frequencies of these molecules are found to be related to each other and to those of similar molecules when the normal modes are described in terms of characteristic vibrations of the SO, SO2, S(Hal), and S(Hal)2 groups.

scholarly journals Infrared and Raman spectra of cubic form of magnesium caesium arsenate hexahydrate

2018 ◽  
Vol 37 (2) ◽  
Author(s):  
Viktor Stefov ◽  
Violeta Koleva ◽  
Metodija Najdoski ◽  
Adnan Cahil ◽  
Zuldjevat Abdija
Keyword(s):  
Raman Spectra ◽  
Room Temperature ◽  
Spectral Characteristics ◽  
Normal Modes ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
Cubic Form ◽  
The Matrix ◽  
Deuterated Sample ◽  
Ft Ir

Fourier transform infrared (FT-IR) spectra recorded at room temperature (RT) and at the boiling temperature of liquid nitrogen (LNT), as well as Raman spectra recorded at room temperature for the cubic polymorph of magnesium cesium arsenate hexahydrate (MgCsAsO4·6H2O) and its partially deuterated analogues, were interpreted with respect to the normal modes of the water molecules and the arsenate ions and water librations. The spectral characteristics of MgCsAsO4·6H2O were compared to the cubic form of the phosphate analogue. A spectral similarity between the two isostructural salts was established, except for the obvious differences due to the nature of the anions (AsO43– vs PO43–). The spectroscopic data for the uncoupled OD stretching mode of the matrix-isolated HDO molecules revealed that the hydrogen bonds formed in the arsenate salt were stronger than those in the phosphate. In the Raman spectrum of the protiated compound, only one very intensive band at 811 cm–1 was observed in the region of the stretching vibrations of the AsO43– ion, which was insensitive to deuteration. In accordance with the expectation, one band appeared in the same spectral range in the infrared spectra of the protiated and highly deuterated sample at 792 cm–1 and 810 cm–1, respectively, which can be attributed with certainty to the asymmetric stretching ν3(AsO4) modes.

Far Infrared and Raman Spectra of (CH3)3SiCo(CO)4

1971 ◽  
Vol 25 (2) ◽  
pp. 182-186 ◽  
Author(s):  
J. R. Durig ◽  
S. J. Meischen ◽  
S. E. Hannum ◽  
R. R. Hitch ◽  
S. K. Gondal ◽  
...  
Keyword(s):  
Raman Spectrum ◽  
Solid State ◽  
Raman Spectra ◽  
Normal Modes ◽  
Far Infrared ◽  
Static Field ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Degenerate Modes ◽  
Ir And Raman

The ir spectra of (CH3)3SiCo(CO)4 in the gaseous (4000–250 cm−1) and solid (4000–33 cm−1) phases have been recorded. The Raman spectrum has also been recorded for the solid state. To aid in the assignment, the ir and Raman spectra were recorded of solid (CH3)3SiH. The vibrational assignment for most of the 60 normal modes has been given on the basis of the fundamental vibrations of the –Si(CH3)3 and –Co(CO)4 moities. The static field was sufficiently strong to split the degenerate modes but the correlation field was so weak that no definite splitting of the symmetric modes was detected.

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