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.
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.
Chemistry
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ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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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?
__________________, __________________](/v2/_next/image?url=https%3A%2F%2Fcontent.bartleby.com%2Fqna-images%2Fquestion%2F053a7dd4-6035-4ca1-b497-47ec6b123526%2Fd8f3bb17-84dd-4966-ad1a-84780a500238%2Fqbcru4p_processed.jpeg&w=3840&q=75)
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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