Substituted Methanes. VI. Force Constants and Calculated Thermodynamic Properties for Some Trifluoromethanes

Autor:	Arnold G. Meister, Charlotte E. Decker, Forrest F. Cleveland
Rok vydání:	1951
Předmět:	Chemistry Enthalpy General Physics and Astronomy Thermodynamics Potential energy Heat capacity Spectral line symbols.namesake symbols Rigid rotor Physical and Theoretical Chemistry Raman spectroscopy Harmonic oscillator Matrix method
Zdroj:	The Journal of Chemical Physics. 19:784-788
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1748354
Popis:	Using previous Raman and infrared data, force constants were calculated for CF4, CF3H, and CF3Cl, by means of the Wilson FG matrix method, with a potential energy function containing all possible second‐degree terms. Fundamental frequencies for CF3D were then determined by means of the force constants found for CF3H. Finally, the heat content, free energy, entropy, and heat capacity for the ideal gaseous state at 1 atmos pressure were calculated for these 4 molecules for 11 temperatures, from 100°K to 1000°K, with a rigid rotator, harmonic oscillator approximation.
Databáze:	OpenAIRE
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