Applied problems related to the particle in a box

The free electron model is an application of the particle in a box to the calculation of molecular spectra. It can be applied to polyenes (particle in a box) and aromatic molecules (particle on a circle). It was actually used to predict molecular spectra before the advent of computers.

Problem 1

Free electon model applied to three polyenes

Solution

Problem 2

Decapentaene box problem

Solution

Problem 3

Particle on a circle model: Porphine

Solution

Problem 4

Particle on a circle model: Phthalocyanine

Solution

Problem 5

Particle on a circle model: Benzene

Solution

Problem 6

Problem 7

Problem 8