(( Physical Chemistry ))
- Question) The Ï-electrons in a linear polyene can be modeled using a particle in a box, but those in a cyclic polyene are better modeled by a particle on a ring. Each energy level (as specified by a unique value of the quantum number m) can hold 2 Ï-electrons. For degenerate states, the electrons singly occupy the energy levels before pairing up. In this problem you will be asked to compare the following two molecules:
C6H6 C8H8
benzene cyclocotatetraene
a. Determine the highest occupied and lowest occupied energy levels in each molecule. If the levels are degenerate, report the level in terms of the absolute value of the level, i.e. |m|?
b. What wavelength of light would be needed to excite an electron from the highest occupied level to the lowest unoccupied level in each molecule?
c. Based on the occupancy of the highest occupied level and your knowledge of general chemistry (âHuh? No one told us we had to know that stuff!â), explain whybenzene is more stable than cyclooctatetraene?
> Book Name: "Quantum Chemistry, 2nd Edition, by Donald McQuarrie"
(( Physical Chemistry ))
- Question) The Ï-electrons in a linear polyene can be modeled using a particle in a box, but those in a cyclic polyene are better modeled by a particle on a ring. Each energy level (as specified by a unique value of the quantum number m) can hold 2 Ï-electrons. For degenerate states, the electrons singly occupy the energy levels before pairing up. In this problem you will be asked to compare the following two molecules:
C6H6 C8H8
benzene cyclocotatetraene
a. Determine the highest occupied and lowest occupied energy levels in each molecule. If the levels are degenerate, report the level in terms of the absolute value of the level, i.e. |m|?
b. What wavelength of light would be needed to excite an electron from the highest occupied level to the lowest unoccupied level in each molecule?
c. Based on the occupancy of the highest occupied level and your knowledge of general chemistry (âHuh? No one told us we had to know that stuff!â), explain whybenzene is more stable than cyclooctatetraene?
> Book Name: "Quantum Chemistry, 2nd Edition, by Donald McQuarrie"
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