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 |
(1)
The secular determinant is:
(2)
where the picture of 1,3-butadiene, showing the numbering of the atoms is: