BOND STRENGTHS, FORCE CONSTANTS, AND OTHER CONSTANTS FOR DIATOMIC MOLECULES FROM THE RYDBERG-KLEIN-REES METHOD
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Date
1966
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Ohio State University
Abstract
The equations derived by Vanderslice et al. as modification of the Rydberg-Klein-Rees (R-K-R) method were used to obtain potential energy curves for 11 diatomic molecules. Numerical differentiations were carried out to calculate for each of these the equilibrium internuclear separation, the bond strength, the equilibrium force constant, the effective force constant for several vibrational states, and the variation of the force derivative function with the internuclear separation. The results were compared with those previously reported. These was no obvious relation between the effective force constants for the first two vibrational states and the force constant $f_{****}=4\pi^{2}C^{2}\sigma^{2}\mu$. The bond strengths were compared with the values obtained a year ago by Cleveland from the Morse potential energy function. Fairly good agreement was noted for molecules for which the point of inflection on the potential energy curve corresponded to low vibrational quantum numbers. For the other molecules, the difference noted was probably due to the fact that the R-K-R potential energy curve becomes somewhat steeper than the Morse Curve at high values of the vibrational quantum number. The calculated equilibrium internuclear separations and the equilibrium force constants were practically the same for different isotopes.
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Author Institution: Department of Physics, Illinois Institute of Technology