Home work Physical and Theoretical Chemistry IV

- Molecular Spectroscopy -

Discussion  Fr 20.01.2006 at 12:15,  HR30.1



 

Home work 10            Molecular rotation
 

 

Exercise 1:  Moment of inertia     

a) Show that methane CH4  is a spherical top. Calculate the moment of inertia. The C-H bond length is 114 pm

Hint: knowing that methane has a tetrahedral structure put the carbon atom to the center of a cube with a side a and the four hydrogen atoms to the appropriate cube corners. Draw three principal axes through the cube center perpendicular to the profile planes.   

b) Show that CH35Cl3 is a symmetric top. Calculate the moment of inertia around the principal axis which contains the C-H bond. The C-Cl bond length is 177 pm and the HCCl angle is 107o.

 

Exercise 2:     Rotational constants and rotational energy terms

a)  Which rotational group CH3I  molecule belongs to?  Calculate the rotational constants and obtain the expression for rotational energy terms. The C-I bond length is 210 pm, the C-H bond length is 111 pm, and the HCH angle is 110.5o.

b)  Consider CD3Br and CH3Cl molecules. Without calculations show which of them has more closely spaced rotational energy levels. Why?

 

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