Hückel p molecular orbitals for 1,3 butadiene
Using the “x” notation where we can write the
secular equations in the form:
xc1 |
+ |
c2 |
+ |
0 |
+ |
0 |
= |
0 |
c1 |
+ |
x c2 |
+ |
c3 |
+ |
0 |
= |
0 |
0 |
+ |
c2 |
+ |
x c3 |
+ |
c4 |
= |
0 |
0 |
+ |
0 |
+ |
c3 |
+ |
x c4 |
= |
0 |
The secular determinant for 1,3-butadiene is:
where
the numbering of the atoms is: