Chapter 8: Problem 172
Discuss the various bonding and antibonding orbital of butadiene. Place them in order of increasing energy. What is the electronic configuration of butadiene in both the ground and the excited state.
Chapter 8: Problem 172
Discuss the various bonding and antibonding orbital of butadiene. Place them in order of increasing energy. What is the electronic configuration of butadiene in both the ground and the excited state.
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Get started for freeIn 1,3 -butadiene, the observed length of the \(\mathrm{C}_{2}-\mathrm{C}_{3}\) bond is \(1.48 \AA\), while the "standard" single bond distance is generally accepted to be \(1.54 \AA\). Explain this discrepancy and calculate the \(\pi\) bond order of the \(\mathrm{C}_{2}-\mathrm{C}_{3}\) butadiene bond. (Hint, consider the resonance effects and the molecular orbital structure).
(a) Define the following terms, and draw a diagram showing their relationship to each other. Amplitude Nodes Nodal plane Phase "Out of phase" Wave equation (b) How do they pertain to molecular orbitals?
The LCAO molecular orbital of the cyclopentadienate system \(\left(\mathrm{C}_{5} \mathrm{H}_{5}\right)\) have schematic energies as follows: Indicate a possible point of difference between \(\mathrm{C}_{5} \mathrm{H}_{5}^{+}\) and \(\mathrm{C}_{5} \mathrm{H}_{5}^{-}\) that can be deduced from molecular orbital theory
Explain the molecular orbital structure of \(\mathrm{O}_{2}\). Calculate the bond order.
The commonly observed conversion of cyclopropy1 cations into allyl cations is considered to be an example of an electrocyclic reaction. (a) What is the HOMO of the ally1 cation? How many \(\pi\) electrons has it? (b) Would you expect conrotatory or disrotatory motion? (c) What prediction would you make about interconversion of allyl and cyclopropy1 anions? (d) About the interconversion of pentadienyl cations and cyclopentenyl cations?
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