8. Consider the molecule azulene and a. Setup the secular determinant for azulene within the Hückel approximation and us
Posted: Thu Jun 09, 2022 7:22 am
8. Consider the molecule azulene and a. Setup the secular determinant for azulene within the Hückel approximation and using the out-of-plane C2p orbitals as basis set. [5] b. Estimate π-electron binding energy within the Hückel approximation. [5] c. Approximate the delocalization energy. [5]