Hindered and modulated rotational states and spectra of adsorbed diatomic molecules under
|Keywords:||轉動能態;轉動能譜;雙原子分子;有限高角錐井;有限高方角錐井;外加電場;rotational states;rotational spectra;adsorbed diatomic molecules;finite conical well;finite quadrilateral conical well;external electric field|
This thesis studies basically the behaviors of the rotational states of an adsorbed diatomic molecule on the surface of a solid under the acting of the external electric field. The content of this thesis is main by divided into three points. In the first points we calculate the rotational energy of a rotator that is hindered inside a finite conical well and finite quadrilateral conical well. In the next point we calculate the behaviors of the rotational energy levels of the hindered rotor generated by the external electric fields. In the final point, we calculate the distribution of the rotational spectra of the rotor caused by the electric field. By comparing the calculating result of finite conical well and that of finite quadrilateral conical well, we can find out the effect caused by the symmetry change of the solid surface. Our results can be also proved by drawing the 3-D distribution of the wave function. The calculated rotational states and spectra under the electric field manifest that they depend quite sensitively on the electric fields. We explain this phenomenon by using the distribution of the wave function and breakdown of symmetry of the system. The calculating results of this thesis can provide very useful data for future studies of experimenters .
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