The Hückel approximations applied to ethene

 

Making approximation (iii) and taking f1 and f2 to be normalized (i.e., that S11 and S22 both equal 1) the secular equations in (2) become

 

      

 

 

Simplification of the Hückel molecular orbital (HMO) matrices

 

The secular equation for ethene, once the Hückel approximations have been applied, should have the form:

 

 

To give this equation a simpler form we divide through each line by b  and set x=(a – E)/b to obtain:

 

or, in matrix form:

 

 

The energies are now measured in units of b (which you should remember is a negative number!)

 

The Hückel secular determinant for ethene