scholarly journals Vibrational Analysis of Substituted and Perturbed Molecules. III.Green’s Function Determination of Force Constants for XY3Planar Molecules

1966 ◽  
Vol 39 (2) ◽  
pp. 201-207 ◽  
Author(s):  
Thomas Wolfram ◽  
C. D. Bass ◽  
Roger E. DeWames ◽  
L. Lynds
Keyword(s):  
Vibrational Analysis ◽  
Force Constants

The determination of force constants from isotopic frequencies using parameter representation

1973 ◽  
Vol 16 (1) ◽  
pp. 149-157 ◽  
Author(s):  
T.R. Ananthakrishnan ◽  
C.P. Girijavallabhan ◽  
G. Aruldhas
Keyword(s):  
Force Constants ◽  
Parameter Representation

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.

Determination of the Force Constants of Non-linear XY2 Molecules in the Gas-Phase by the GF Matrix Method

2004 ◽  
Vol 59 (9) ◽  
pp. 621-622 ◽  
Author(s):  
Fatih Ucun ◽  
Vesile Gūçlü
Keyword(s):  
Gas Phase ◽  
Condensed Phase ◽  
Matrix Method ◽  
Solid Phase ◽  
Force Constants ◽  
Matrix Solution ◽  
The Matrix ◽  
Newton Raphson ◽  
Raphson Method

The force constants of the internal coordinates of nonlinear XY2 molecules in the gas-phase were calculated by using the GF matrix method. The matrix solution was carried out by means a computer program built relative to the Newton-Raphson method and the calculations were listed in a table. The force constants of some molecules in the liquidand solid- phase were also found and compared with these ones, and it was seen that the force constants for more condensed phase are lower as in an agreement with having its lower frequency.

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