The Calculation of the Free Energy of Polyatomic Molecules from Spectroscopic Data. II

1935 ◽  
Vol 3 (5) ◽  
pp. 259-265 ◽  
Author(s):  
A. R. Gordon
Keyword(s):  
Free Energy ◽  
Spectroscopic Data ◽  
Polyatomic Molecules

Spectroscopic Studies of Molecular Constants in some Polyatomic Molecules

1966 ◽  
Vol 21 (3) ◽  
pp. 244-251 ◽  
Author(s):  
G. Nagarajan
Keyword(s):  
Spectroscopic Data ◽  
Theoretical Method ◽  
Spectroscopic Studies ◽  
Polyatomic Molecules ◽  
Mean Square ◽  
Molecular Constants ◽  
Rigid Rotator ◽  
Mean Amplitudes Of Vibration ◽  
Atom Pairs ◽  
Harmonic Oscillator Model

Force constants have been evaluated by the WILSON group theoretical method for various ij3 molecules possessing a planar trigonal symmetry. Mean-square amplitude quantities and mean amplitudes of vibration for the bonded as well as nonbonded atom pairs have been computed at the temperatures T=0 and T=298 °K for C3 , Si3 , and XeF2 by the CYVIN method. The molar thermodynamic functions from spectroscopic data have been calculated for Si3 and XeF2 on the basis of a rigid rotator, harmonic oscillator model. BASTIANSEN-MORINO shrinkage effects have been calculated for various linear asymmetrical ijk, linear symmetrical ij2 and tetrahedral ij4 molecules at the temperatures T=0 and T=298 °K.

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