Infrared Spectrum, Force Constants, and Thermodynamic Functions of SiF2

1967 ◽  
Vol 47 (12) ◽  
pp. 5031-5037 ◽  
Author(s):  
V. M. Khanna ◽  
R. Hauge ◽  
R. F. Curl ◽  
J. L. Margrave
Keyword(s):  
Infrared Spectrum ◽  
Thermodynamic Functions ◽  
Force Constants

Infrared spectrum, potential constants, and structure of thio-thionyl fluoride

1965 ◽  
Vol 18 (5) ◽  
pp. 627 ◽  
Author(s):  
RD Brown ◽  
GP Pez ◽  
MF O'Dwyer
Keyword(s):  
Electronic Structure ◽  
Infrared Spectrum ◽  
Thermodynamic Functions ◽  
Vibrational Analysis ◽  
Force Constants ◽  
Normal Coordinate ◽  
Infrared Data

An investigation of the infrared spectrum of gaseous thio-thionyl fluoride (SSF2) results in the following assignment of fundamentals: A': v1 760.5�0.2cm-1, v2 718.5�0.2 cm-1, v3 411.2�0.4cm-1, v4 364.1�0.3 cm-1. A": v5 692.3�0.8cm-1, v6 337.6�0.4 cm-1. A normal coordinate vibrational analysis has been performed and a set of ten force constants evaluated. Some conclusions are given regarding the electronic structure of SSF2. Thermodynamic functions based on the usual assumptions have been calculated for SSF2. A set of potential constants has been evaluated for disulphur monoxide, SSO, using the available infrared data.

Infrared spectrum and force constants of silyl-d3 iodide

1958 ◽  
Vol 12 (1) ◽  
pp. 41-46 ◽  
Author(s):  
H.R. Linton ◽  
E.R. Nixon
Keyword(s):  
Infrared Spectrum ◽  
Force Constants

Notizen: Schwingungseigenschaften und thermodynamische Funktionen von Mn2O7

1987 ◽  
Vol 42 (3) ◽  
pp. 307-309 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Thermodynamic Functions ◽  
Related Species ◽  
Molecular Model ◽  
Force Constants ◽  
Vibrational Properties ◽  
Mean Amplitudes Of Vibration ◽  
Infrared Data

Vibrational Properties and Thermodynamic Functions of Mn2O7The main force constants for Mn2O7 have been calculated from recently reported infrared data, using a simplified molecular model. Mean amplitudes of vibration and thermodynamic functions are also reported. The results are briefly discussed and some comparisons with related species are made.

Schwingungsspektren der Schwefelringe S8, 34S8, S12 und S12 · CS2 sowie thermodynamische Funktionen der Moleküle Sn (n = 2 — 12) / Vibrational Spectra of the Sulfur Rings S8, 34S8, S12 and S12 · CS2 and Thermodynamic Functions of the Molecules Sn (n = 2…12)

1978 ◽  
Vol 33 (8) ◽  
pp. 951-958 ◽  
Author(s):  
Ralf Steudel ◽  
Hans-Joachim Mäusle
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Thermodynamic Functions ◽  
Vibrational Spectra ◽  
Molecular Size ◽  
Heat Capacities ◽  
Force Constants ◽  
Sulfur Vapor ◽  
Sulfur Species

Raman spectra of S8, 34S8, S12, and S12 · CS2 are reported and force constants have been calculated for S8 and S12 using a modified Urey-Bradley force field. The fundamental vibrations and molecular geometries of S8 and S12 have been used for the calculation of thermodynamic functions. The standard entropies, S0T, as well as the molar heat capacities, Cp, of sulfur species Sn are shown to depend linearly on the molecular size, n, as follows (in J · mole-1 · K-1):S0298 = 35.16n + 147.0, Cp(298 K) = 21.00 n - 11.7.By interpolation entropies for S9, S10 and S11 have been obtained, and these data are used to show that the concentrations of sulfur rings larger than S8 in sulfur vapor must be negligibly small.

Kraftkonstanten, mittlere Schwingungsamplituden, Coriolis-Kopplungskonstanten und thermodynamische Funktionen der Moleküle WOCl4 und WOBr4 / Force Constants, Mean Amplitudes, Coriolis Coupling Constants, Thermodynamic Functions, WOCl4 , WOBr4

1974 ◽  
Vol 29 (4) ◽  
pp. 620-623 ◽  
Author(s):  
W. Brockner ◽  
H. Hovdan ◽  
S. J. Cyvin
Keyword(s):  
Thermodynamic Functions ◽  
Ideal Gas ◽  
Force Constants ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration ◽  
Amplitude Correction ◽  
Different Temperatures ◽  
Harmonic Oscillator Approximation ◽  
The Mean

A normal co-ordinate analysis of the molecules W 0Cl4 and WOBr4 has been carried out following W ilson’s FG matrix method. Valence force constants based on known (WOCl4) and estimated (WOBr4) molecular parameters have been evaluated. The results support the assignment of the known Raman spectra of W0Cl4 . Also the mean amplitudes of vibration and the perpendicular amplitude correction coefficients K have been computed for the temperatures T = 0 and T = 298 °K. Furthermore the Coriolis coupling constants of the ζz(EaxEb)- type have been determined. Some thermodynamic functions have also been calculated for an ideal gas state at one atmosphere pressure and different temperatures using the rigid rotor harmonic oscillator approximation.

Infrared spectrum and force constants of matrix-isolated nitrosyl iodide

1978 ◽  
Vol 34 (11) ◽  
pp. 1065-1066 ◽  
Author(s):  
M. Feuerhahn ◽  
W. Hilbig ◽  
R. Minkwitz ◽  
U. Engelhardt
Keyword(s):  
Infrared Spectrum ◽  
Force Constants
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