The ordering of the energies of the pi-molecular orbitals of benzene is shown in Fig. 1....
A free-electron model for a benzene molecule can be approximated via a particle rotating in a ring (2-D rigid rotor problem). Use this model assuming the radius of benzene of 1.39 ˚A to answer the following questions: a) Find the energies of the occupied electronic levels; plot a schematic diagram of the electronic levels. b) Calculate the wavelength (in nm) of the lowest-energy electronic transition in benzene. c) In what region of the electromagnetic spectrum is this transition? How does...
The benzene molecule, C6H6, contains 6 carbon atoms in a ring. Each carbon atom contributes one electron that is free to move round the ring. By treating the electrons as particles moving on a ring of radius r the delocalised electron energies can be estimated by E = h2n 2 / (8π2mer 2 ) (1) where n = 0, ±1, ±2, ±3, … . (a) Use equation (1) to calculate the n=1 to n=2 electronic transition energy in benzene. Take...
7. π electron is an electron which resides in the pi bond(s) of a double bond or a triple bond, or in a conjugated p orbital. The 1,3,5-hexatriene molecule is a conjugated molecule with 6 t electrons. Consider the Tt electrons free to move back and forth along the molecule through the delocalized pi system. Using the particle in a box approximation, treat the carbon chain as a linear one-dimensional "box". Allow each energy level in the box to hold...