Hückel-Heilbronner MO Solution, T=1 | |||
---|---|---|---|
n=No. 2p AOs | β = β | β = Cos(π/n)β | Δβ |
4 | 4α + 5.65β | 4α + 4.0βa | 1.65 |
6 | 6α + 6.93β | 6α + 6.0βb | 0.93 |
7- | 8α + 8.99β | 6α + 8.10β | 0.89 |
8 | 8α + 10.50β | 8α + 9.65β | 0.85 |
9+ | 8α + 11.52β | 8α + 10.83β | 0.69 |
10 | 10α + 12.31β | 10α + 11.71β | 0.60 |
12 | 12α + 15.45β | 12α + 14.93β | 0.52 |
16 | 16α + 20.50β | 16α + 20.11β | 0.39 |
20 | 20α + 25.57β | 20α + 25.26β | 0.31 |
aUntwisted energy: 4α + 4.0β
bUntwisted energy: 6α + 8.0β