Home work Physical and Theoretical Chemistry IV
- Molecular Spectroscopy -

Discussion  Fr 19.06.2009 at 12:15,  PK 11.2


 

Home work 9         Electronic Terms and Electronic Transitions in Diatomic Molecules

 

Exercise 1:   Electronic terms of homonuclear diatomic molecules    

a)  The term symbol for the ground state of N2+ is 2Σ+g . What is the total spin and projection of the total orbital angular momentum of the molecule? Show that the term symbol agrees with  the electron configuration that would be predicted using the building-up principle.  

b) Using the electron configuration of the ground state of the O2 molecule explain the origin of the ground state term symbol  3Σ-g .

Exercise 2:     Electron configuration of heteronuclear diatomic molecules  

a) What are the MO electron configurations of CH, NH, and OH in the ground state and in the first excited states?

b) Do these molecules have a dipole moment? If yes, order of the dipole moments according to their magnitude (take into account also the dipole moment of HF discussed at the lecture).

Hint: compare the electronic structure of the atoms and their ionization potentials

 

Exercise 3:  Electronic transitions   

a)   The vibrational constant of O2 molecule in its electronic ground state (X 3Σ-g) is 1580 cm-1, whereas that in the first excited state (B3Σ-u) to which there is an allowed electronic transition, is 700 cm-1. Having in mind that the energy separation between the minima of the potential energy curves of these two electronic states is 6.175 eV, calculate what is the wavenumber of the lowest energy radiative transition from the v=0 vibrational state of the electronic ground state to this excited state? Ignore any rotational structure and anharmonicity.      

b)  Homonuclear diatomic halogen anions have a  2Σ+u ground state and  2Πg , 2Πu, and 2Σ+u exited states. To which of the excited states are transitions by absorption of photons allowed? Explain.

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