513.001 Molecular and Solid State Physics

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Wolfram Alpha

Physical
Constants

Periodic System
of Elements

      

Nitrogen

(a) The calculation of a bond potential for a molecule like N2 is computationally intensive. Describe how this calculation would be done.

(b) Once a bond potential has been calculated, it is often fit to a Morse potential of the form,

\[ \begin{equation} \large U(r) =U_0\left( \exp \left(-2a(r-r_0)\right) -2 \exp \left(-a(r-r_0)\right)\right). \end{equation} \] For N2, the results are: U0 = 943kJ/mol; r0=1.08Å ; a=2.73Å-1;

It is possible to calculate the vibrational and rotational frequencies of a diatomic molecule like N2 from the Morse potential. What are the vibrational and rotational frequencies of N2?