Chapter 8.8, Problem 16P

Interpretation Introduction

Interpretation:

• The most stable MO between $\text{1,3,5- hexatriene}$ and benzene has to be predicted.

Concept Introduction:

Molecular orbitals:

Linear combination of atomic orbitals leads to the formation of molecular orbital; the number of molecular orbitals produced are equal to the number of atomic orbitals involved.

Bonding molecular orbital:

Side-to-side overlap of in-phase p-orbitals produces a pi-bonding molecular orbitals and designated as ${\text{ψ}}_1$.

Anti-bonding molecular orbital:

The side-to-side interaction between out-of-phase p-orbitals produces a ${\text{π}}^{\text{*}}$ anti-bonding molecular orbital.