Spectroscopic constants and potential-energy derivatives for diatomic molecules of alkali halides

1989 ◽  
Vol 67 (10) ◽  
pp. 974-976 ◽  
Author(s):  
A. A. S. Sangachin ◽  
J. Shanker

The potential-energy derivatives are derived directly from the experimental values of the spectroscopic constants for diatomic alkali halides. It is found that these derivatives are useful in predicting more accurately the values of the higher order spectroscopic constant (βe). Some interesting new relations showing the dependence of the potential-energy derivatives on internuclear distances have been investigated empirically. An attempt has been made to interpret these relations on the basis of interionic potentials.

1968 ◽  
Vol 46 (22) ◽  
pp. 2563-2565 ◽  
Author(s):  
S. Szöke ◽  
E. Baitz

Potential energy functions can be constructed by the aid of parameters other than spectroscopic constants to render the possibility of linking different areas in chemical physics. By using a formula connecting force constants of diatomic molecules and bonds in polyatomics, a potential energy function can be obtained by replacing some of the spectroscopic parameters by expressions based on the use of electronegativities.


1982 ◽  
Vol 60 (8) ◽  
pp. 1187-1192 ◽  
Author(s):  
J. Shanker ◽  
H. B. Agrawal

Higher order molecular spectroscopic constants γe and βe are calculated for diatomic alkali halide molecules using new polarizabilities derived recently from the Seitz–Ruffa (SR) energy level analysis. The results for 20 alkali halide diatomic molecules are obtained using the Rittner potential and three forms of repulsion, viz. the Born–Mayer repulsion, the Hellmann repulsion, and the Born–Lande repulsion form. The dependence of the dipole moment on the vibrational quantum number is studied by evaluating the first and higher order derivatives of dipole moment using the SR energy level analysis. The results obtained are discussed and compared with the available experimental data as well as with quantum-mechanical results obtained by Matcha.


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