A spectroscopic investigation of trimethyl- and triphenyl-arsine adducts of boron trihalides

1981 ◽  
Vol 59 (15) ◽  
pp. 2417-2428 ◽  
Author(s):  
John E. Drake ◽  
Layla N. Khasrou ◽  
Abdul Majid
Keyword(s):  
Nmr Spectroscopy ◽  
Potential Energy ◽  
Spectroscopic Investigation ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Energy Distributions ◽  
Vibrational Assignments ◽  
Potential Parameters ◽  
C Nmr

Trimethyl- and triphenyl-arsine adducts of the type (CH3)3AsBX3 and (C6H5)3AsBX3, X = Cl, Br, I, have been prepared and characterised by infrared, Raman, 1H and 13C nmr spectroscopy. The vibrational assignments based on normal coordinate analysis are presented for the series (CH3)3AsBX3. Potential energy distributions and modified Urey–Bradley potential parameters are reported.

scholarly journals Beiträge zur Chemie der Schwefelhalogenide, 9 [1]. Trifhiormethyldichlorsulfonium(IV)-hexafluoroarsenat(V) / Contributions to the Chemistry of Sulfur Halides, 9 [1] Trifluoromethyldichlorosulfonium(IV) Hexafluoroarsenate(V )

1985 ◽  
Vol 40 (9) ◽  
pp. 1123-1129 ◽  
Author(s):  
Rolf Minkwitz ◽  
Ulrike Naß ◽  
Armin Radünz ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Structural Data ◽  
Normal Coordinate Analysis ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Sulfonium Salt ◽  
C Nmr

The synthesis of CF3SCl2+AsF6- is reported. The sulfonium salt is characterised by IR, Raman, 19F and 13C NMR spectroscopy. The vibrational assignment is based on a Cs model for the cation and assisted by a normal coordinate analysis. The crystal structure has been determined from three-dimensional diffractometer data at -133 K. The structural data for the cation are: C-F = 128.8(5) pm, C-S = 197,8(3) pm, S-Cl = 195,9(1) pm and F-C-F = 111,8(3)°, Cl-S-Cl = 104,22(5)°, C-S-Cl = 99,8(1)°.

Schwingungsberechnungen der Species Ti2Cl102− , Ti2Cl9− und TiCl5− / Molecular Vibration Analysis of Ti2Cl102− , Ti2Cl9− and TiCl5−

1979 ◽  
Vol 34 (3) ◽  
pp. 362-368 ◽  
Author(s):  
A. F. Demiray ◽  
W. Brockner ◽  
B. N. Cyvin ◽  
S. J. Cyvin
Keyword(s):  
Potential Energy ◽  
Matrix Method ◽  
Vibration Analysis ◽  
Molecular Model ◽  
Molecular Vibration ◽  
Normal Coordinate ◽  
Energy Distributions ◽  
Mean Amplitudes Of Vibration ◽  
Symmetry Coordinates ◽  
The Mean

AbstractNormal coordinate analyses of the chlorotitanate ions Ti2Cl102−Ti2Cl9− - and TiCl5− have been carried out following Wilson's FG matrix method. The final force constants are given in terms of symmetry coordinates, which are thoroughly specified for a Ti2Cl9− molecular model. Assignments of the vibrational frequencies of the title compounds are proposed, and the corresponding potential energy distributions are given. The final force fields were used to calculate the mean amplitudes of vibration, of which those of TiCl5− and selected values of Ti2Cl102− andTi2Cl9− are reported.

Schwingungsberechnungen des Hexathiometadiphosphatanions P2S62-

1988 ◽  
Vol 43 (5) ◽  
pp. 494-496 ◽  
Author(s):  
Lothar Ohse ◽  
Wolfgang Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Field Potential ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
Initial Force

A normal coordinate analysis for the Hexathiometadiphosphate anion P2S62- was performed, based on a simple initial force field. The force field was refined by adjusting the symmetry force constants to approximate the observed frequencies. The final force field, potential energy distribution (PED) and mean amplitudes of vibration are also given. Based on the normal coordinate analysis a new assignment of the P2S62- frequencies is proposed.

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.

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