In the molecular orbital (MO) scheme for frontier orbitals of benzene, answer the following: a) how many of the carbons in benzene are sp2/p hybridized? b) how many p-n electrons does this system have? c) how many T,7* MOs can be constructed from the carbon p-orbitals? 2.

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**Exercise in Molecular Orbital Theory: Benzene**

In this exercise, we will analyze the molecular orbital (MO) scheme for frontier orbitals of benzene.

1. **Carbon Hybridization in Benzene**
   a) How many of the carbons in benzene are sp²/p hybridized?  
   ______

2. **π-π Electron System**
   b) How many π-π electrons does this system have?  
   ______

3. **π, π* MOs from Carbon p-Orbitals**
   c) How many π, π* molecular orbitals can be constructed from the carbon p-orbitals?  
   ______

4. **MOs and Vertical Nodes**
   d) Labeling these ψ_n (n = 1 to ....) increasing in energy, how many vertical nodes do the following molecular orbitals have?  
   - ψ_1 ______
   - ψ_2, ψ_3 ______
   - ψ_4, ψ_5 ______
   - ψ_6 ______
   
5. **Molecular Orbital Diagram**
   e) On the hexagonal skeleton to the right, draw the molecular orbital for ψ_3 or ψ_4.
   
   - [There is a hexagonal diagram provided. Draw the molecular orbitals to show the bonding, non-bonding, or antibonding characteristics. Clearly illustrate and explain why.]

6. **Molecular Orbital Analysis**
   f) In benzene, what orbital(s) is/are the HOMO? ψ_n = ______  
   The LUMO? ψ_n = ______  
   
   g) What is the (value of the) aromatic stabilization energy for benzene? ______ kJ/mol

   h) Is benzene more or less stable than 1,3,5-cyclohexatriene?  
   (Circle one)  
   - More  
   - Less

   i) In two words, what is the structure of benzene?  
   __________________, __________________
Transcribed Image Text:**Exercise in Molecular Orbital Theory: Benzene** In this exercise, we will analyze the molecular orbital (MO) scheme for frontier orbitals of benzene. 1. **Carbon Hybridization in Benzene** a) How many of the carbons in benzene are sp²/p hybridized? ______ 2. **π-π Electron System** b) How many π-π electrons does this system have? ______ 3. **π, π* MOs from Carbon p-Orbitals** c) How many π, π* molecular orbitals can be constructed from the carbon p-orbitals? ______ 4. **MOs and Vertical Nodes** d) Labeling these ψ_n (n = 1 to ....) increasing in energy, how many vertical nodes do the following molecular orbitals have? - ψ_1 ______ - ψ_2, ψ_3 ______ - ψ_4, ψ_5 ______ - ψ_6 ______ 5. **Molecular Orbital Diagram** e) On the hexagonal skeleton to the right, draw the molecular orbital for ψ_3 or ψ_4. - [There is a hexagonal diagram provided. Draw the molecular orbitals to show the bonding, non-bonding, or antibonding characteristics. Clearly illustrate and explain why.] 6. **Molecular Orbital Analysis** f) In benzene, what orbital(s) is/are the HOMO? ψ_n = ______ The LUMO? ψ_n = ______ g) What is the (value of the) aromatic stabilization energy for benzene? ______ kJ/mol h) Is benzene more or less stable than 1,3,5-cyclohexatriene? (Circle one) - More - Less i) In two words, what is the structure of benzene? __________________, __________________
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