The
Hückel secular determinant for ethene is:
Therefore E=a + b (for x =
–1), or E=a – b (for x
= 1).
To find the coefficients, i.e. to find
the MO, for the lower energy E1=a + b (x =
–1), we substitute into the secular equations (eq. 6):
This gives c11=c12
y1 = c11 ( f1 + f2 )
The normalization condition is:
Therefore the lower energy p MO of ethene is: