ON THE DISSOCIATION OF PbF AND BiF MOLECULES

1965 ◽  
Vol 43 (5) ◽  
pp. 829-835 ◽  
Author(s):  
Ran B. Singh ◽  
D. K. Rai
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Potential Function ◽  
Dissociation Energy ◽  
Ground States ◽  
Potential Energy Curves ◽  
Empirical Potential ◽  
Dissociation Energies

True potential energy curves have been calculated for the A and X states of BiF and PbF molecules using the Rydberg–Klein–Rees (R.K.R.) method as modified by Vanderslice et al. It has already been shown that by fitting an empirical potential function to the actual potential (R.K.R.) curve of a state we can obtain an idea of the correct dissociation energy of the molecule in that particular state. The three-parameter Lippincott function has been used for this purpose. The resulting dissociation energies for the ground states of PbF and BiF are (2.4 ± 0.2) eV and (2.60 ± 0.2) eV respectively. In PbF a large number of band systems are known, two of which show predissociation in the upper excited state. It has been found possible to account for both of these predissociations in PbF as being due to the A state of the molecule.

POTENTIAL ENERGY CURVES AND DISSOCIATION PRODUCTS OF THE K2 MOLECULE

1964 ◽  
Vol 42 (3) ◽  
pp. 452-457 ◽  
Author(s):  
D. K. Rai ◽  
A. N. Tripathi
Keyword(s):  
Potential Energy ◽  
Corresponding States ◽  
Potential Energy Curves ◽  
Potential Curve ◽  
Empirical Potential ◽  
Dissociation Energies ◽  
The One

A R.K.R.V. calculation has been performed for the [Formula: see text] and B1Πu state of the K2 molecule. By fitting an empirical potential curve to the known true potential curve (the one obtained by the R.K.R.V. method) the dissociation energies of the corresponding states can be estimated. These estimated values allow the states of the dissociated atom to be determined. We have used the four-parameter Lippincott and the five-parameter Hulburt–Hirschfelder functions to approximate the R.K.R.V. curves of the two states. The agreement between the curves is of the same type as already found in previous cases.

Potential Energy Curves of Alkali Halide Diatomic Molecules

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1227-1228 ◽  
Author(s):  
M. M. Patel ◽  
V. B. Gohel
Keyword(s):  
Potential Energy ◽  
Potential Function ◽  
Ground State ◽  
Alkali Halide ◽  
Diatomic Molecules ◽  
Potential Energy Curves ◽  
Empirical Potential

Abstract R. K. R. curves have been constructed for the ground state of alkali halide diatomic molecules and compared with the well behaved empirical potential function. It is found that the modified form of Rittner's potential accurately reproduces the R. K. R. curves.

Dissociation energies of LuD and SiCl molecules from experimental potential energy curves

1994 ◽  
Vol 74 (4) ◽  
Author(s):  
N. Rajamanickam ◽  
N. Dhuvaragaikannan ◽  
K. Raja Mohamed
Keyword(s):  
Potential Energy ◽  
Potential Energy Curves ◽  
Dissociation Energies

A Quasi-Universal Internuclear Potential Energy Function for the Diatomic Halides

1970 ◽  
Vol 25 (12) ◽  
pp. 1932-1936
Author(s):  
Walter Yeranos
Keyword(s):  
Potential Energy ◽  
Potential Function ◽  
Energy Function ◽  
Morse Potential ◽  
Potential Energy Function ◽  
Internal Check ◽  
Dissociation Energies ◽  
Universal Correlation ◽  
Type V ◽  
Parameter Function

Abstract Taking into account the universal correlation of the force constants of halide bonds with their respective dissociation energies (excluding the fluorides), an internuclear potential energy function of the type V(r) = De (1-e-α(r-re))2 + β (1-δF,X) (r - re)2e-γ(r-re) has been proposed for the diatomic halides. α und β, in the latter are constants for a specific series, γ is determined from the rotational-vibrational constant αe, and the function reduces to the ordinary Morse potential function in the case of the fluorides. It, moreover, performs as well as the Hulburt-Hirschfelder 5-parameter function, and, unlike the latter, utilizes the anharmoni-city constant ωeXe as an internal check.

Sign in / Sign up

Export Citation Format

Share Document