Answer to Question #167587 in Organic Chemistry for Uday kiran

Question

Calculate the Hückel molecular orbital energies of the planar radical (i.e., one nonpaired electron) CH2CHCH2•.Derivethe molecular wavefunction and sketch the molecular orbitals for the lowest energy state. Hint:LCAO-MO principle, use 𝜙"(i=1–3) as atomic orbitals.What is the first/minimal electronic excitation energy? Hint:HOMO to LUMO transition.

Answer 1

The simplest hydrocarbon to consider that exhibits π bonding is ethylene (ethene), which is made up of four hydrogen atoms and two carbon atoms. ... The Hückel approximation is used to determine the energies and shapes of the π molecular orbitals in conjugated systems.