Calculation of Vibrational - Rotational Energies for Four Hydrogen Halides HF, HCl, HBr and HI


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Abstract


The calculations were based on the basis of multilevel model taking into account the non-equilibrium population of the rotational levels. The computational investigation has been performed by using MATLAB computer model. In calculation the effect of the variation of these energies as a function of the rotational quantum number at different vibrational state can be determined from different figures. The results show that the changes in energies for HF and HCl at higher values than for HBr and HI. These trends are explained by considering the values of the rotational molecular constant. For all molecules the rotational-vibrational energies tend to increase with increasing J. note that each hydrogen halide (HF, HCl, HBr, and HI) has a significant dipole moment. Moreover, the dipole moments increase as one move up the periodic table in halogen group.
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Keywords


Hydrogen Halides; Vibrational- Rotational Energy; Molecular Spectroscopy

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