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Chapter 8: Q86P (page 379)

Answer the following questions for the molecular orbitals (MOs) of 1,3,5,7-octatetraene:

a. How many MOs does the compound have?

b. Which are the bonding MOs, and which are the antibonding MOs?

c. Which MOs are symmetric, and which are antisymmetric?

d. Which MO is the HOMO and which is the LUMO in the ground state?

e. Which MO is the HOMO and which is the LUMO in the excited state?

f. What is the relationship between HOMO and LUMO and symmetric and antisymmetric orbitals?

g. How many nodes does the highest-energy MO of 1,3,5,7-octatetraene have between the nuclei?

Short Answer

Expert verified

a. 8

产.饾浌1, 饾浌2, 饾浌3, 饾浌4 are bonding MOs and 饾浌5 ,饾浌6 ,饾浌7, 饾浌 8 are antibonding MOs.

c. 饾浌5 ,饾浌6 ,饾浌7 ,饾浌 8are symmetric and 饾浌2, 饾浌4 ,饾浌6, 饾浌8 are antisymmetric.

d. 饾浌4 is HOMO and 饾浌 5is LUMO at the ground state.

e. 饾浌 5is HOMO and 饾浌6 is LUMO in the excited state.

f. If the HOMO is symmetric then LUMO will be asymmetric and vice versa.

g. 7 nodes.

Step by step solution

01

Definition ofMolecular orbital-

A molecular orbital is a mathematical function used to describe an electron's position and wave-like behaviour in a molecule in chemistry. Chemical and physical properties like the likelihood of finding an electron in a particular area can be determined using this function.

02

Structure of 1,3,5,7-octatetraene-

03

Step 3:

a.There are 8 molecular orbitals.

产.饾浌1, 饾浌2, 饾浌3, 饾浌4 are bonding MOs and 饾浌5 ,饾浌6 ,饾浌7, 饾浌 8 are antibonding MOs.

c. 饾浌5 ,饾浌6 ,饾浌7 ,饾浌 8are symmetric and 饾浌2, 饾浌4 ,饾浌6, 饾浌8 are antisymmetric.

d. 饾浌4 is HOMO and 饾浌 5is LUMO at the ground state.

e. 饾浌 5is HOMO and 饾浌6 is LUMO in the excited state.

f. If the HOMO is symmetric then LUMO will be asymmetric and vice versa.

g. 7 nodes.

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