Schwingungsspektren der Clusterverbindung Nb6F15/Vibrational Spectrum of the Cluster Compound Nb6F15

1989 ◽  
Vol 44 (1) ◽  
pp. 74-78 ◽  
Author(s):  
G. Kliche ◽  
H. G. von Schnering
Keyword(s):  
Raman Spectrum ◽  
Infrared Spectrum ◽  
Vibrational Spectrum ◽  
Raman Spectra ◽  
Metal Cluster ◽  
Cluster Compound ◽  
Vibrational Modes ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Valence Force

Abstract Infrared and Raman spectra of the metal cluster compound [Nb6F12]F3 (cubic Im3̄m; Z = 2) are reported. The three intense m odes observed in the Raman spectrum at 215. 267, and 337 cm-1 and a weak mode observed in the infrared spectrum at 287 cm-1 are assigned to the T2g, Eg, A1g, and T1u vibrational modes of the Nb6 octahedra. The assignment is supported by normal coordinate analysis and Raman measurements at 47 kbar. The valence force constants are f(Nb-Fi) = 2.04, f(Nb-Fa-a) = 1.30 and f(Nb-Nb) = 0.97 N cm-1 metal-to-metal interaction in the cluster.

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−.

The Infrared and Raman Spectra of Trifluoronitrosomethane

1974 ◽  
Vol 52 (18) ◽  
pp. 3149-3157 ◽  
Author(s):  
Herbert F. Shurvell ◽  
Shiv C. Dass ◽  
Robert D. Gordon
Keyword(s):  
Raman Spectrum ◽  
Infrared Spectrum ◽  
Potential Energy ◽  
Internal Rotation ◽  
Condensed Phase ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Energy Distributions ◽  
Torsional Mode

The infrared spectrum of gaseous CF3NO has been studied in the region 4000–35 cm−1. The infrared spectrum of the condensed phase has also been recorded and a complete vibrational assignment is proposed. Attempts to record the Raman spectrum have been hampered by photolysis. A frequency of 50 cm−1 for the CF3 torsional mode has been estimated from combination and hot bands. This corresponds to a barrier to internal rotation of approximately 425 cal/mol (150 cm−1). A normal coordinate analysis has been carried out and potential energy distributions, and valence and symmetry force constants are reported.

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.

FAR INFRARED AND RAMAN SPECTRA AND STRUCTURE OF DITHIOPHOSGENE

1964 ◽  
Vol 42 (9) ◽  
pp. 2107-2112 ◽  
Author(s):  
W. K. Busfield ◽  
M. J. Taylor ◽  
E. Whalley
Keyword(s):  
Raman Spectrum ◽  
Infrared Spectrum ◽  
Raman Spectra ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Tentative Assignment

The infrared spectrum in the range 3000–50 cm−1 and the Raman spectrum of solutions of dithiophosgene have been obtained. There are no coincidences in the infrared and Raman spectra, and the only structure consistent with this and approximately tetrahedral carbon valencies is[Formula: see text]that is tetrachloro-1,3-dithietane, in which the ring is planar or nearly planar. A tentative assignment of the observed bands is given on the basis of D2h symmetry.

The vibrational spectrum and normal coordinate analysis of tellurium chloride pentafluoride

1976 ◽  
Vol 54 (5) ◽  
pp. 817-823 ◽  
Author(s):  
W. V. F. Brooks ◽  
M. Eshaque ◽  
Clement Lau ◽  
Jack Passmore
Keyword(s):  
Vibrational Spectrum ◽  
Raman Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate

The infrared and Raman spectra of TeClF5 have been recorded. Assignments have been made on the basis of C4v symmetry. A normal coordinate analysis was carried out on SClF5, SeClF5, TeClF5, SF6, SeF6, and TeF6 and the derived force constants compared.

Acetyl Cyanide III. Vibrational Spectrum and Vibrational Analysis

1976 ◽  
Vol 31 (11) ◽  
pp. 1408-1412 ◽  
Author(s):  
H. M. Heise ◽  
F. Scappini ◽  
H. Dreizler
Keyword(s):  
Raman Spectrum ◽  
Liquid Phase ◽  
Infrared Spectrum ◽  
Vibrational Spectrum ◽  
Vibrational Analysis ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Infrared Band

Abstract The infrared spectrum of gaseous acetyl cyanide, CH3COCN, has been recorded from 90 - 3200 cm-1. The Raman spectrum of the liquid phase has been measured between 100 and 500 cm-1. The eighteen fundamental vibrations have been assigned, mainly on the basis of the infrared band contours, and a normal coordinate analysis has been made.

Vibrational spectra of ammonium ammine-oxo-diperoxovanadate

1982 ◽  
Vol 47 (6) ◽  
pp. 1549-1555 ◽  
Author(s):  
Peter Schwendt ◽  
Miloslav Pisárčik
Keyword(s):  
Raman Spectrum ◽  
Bond Length ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Wave Number ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Mass Model ◽  
Vibrational Coupling

Infrared and Raman spectra of solid NH4[VO(O2)2NH3], ND4[VO(O2)2ND3], 14/15NH4[VO(O2)214/15NH3] (about 50% 15N) and Raman spectrum of solution of NH4[VO(O2)2NH3] have been measured. Interpretation of the spectra was complemented by normal coordinate analysis in the approximation of point mass model (NH3). The results have shown that there exists coupling of vibrations of two V(O2) groups, which enables an explanation of differences between spectra of the mono- and diperoxo complexes. The vibrational coupling of VO and OO bonds within one V(O2) group probably causes small sensitivity of wave number of v(O-O) band to changes of d(O-O) bond length.

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.

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.

INFRARED AND RAMAN SPECTRA OF TETRABROMOETHYLENE

1953 ◽  
Vol 31 (12) ◽  
pp. 1223-1228 ◽  
Author(s):  
F. E. Malherbe ◽  
G. Allen ◽  
H. J. Bernstein
Keyword(s):  
Raman Spectrum ◽  
Infrared Spectrum ◽  
Raman Spectra ◽  
Liquid State ◽  
Potential Functions ◽  
Infrared And Raman Spectra ◽  
Vibration Frequencies

The infrared spectrum of liquid and dissolved tetrabromoethylene has been investigated from 3µ–36µ. The Raman spectrum has been obtained photographically in the liquid state and photoelectrically in solution and depolarizations measured. All of the fundamentals were observed except v4, v7, v10, and v12. The last two vibration frequencies are estimated by calculations from two different potential functions.

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