Pi bond formation energy of allyl cation

Thank you for using our service!In summary, the question discusses the calculation of pi bonding formation energy for a cation with a delocalized pi network. The suggested answer uses N=2, as the third carbon atom is not included in the pi network and does not contribute to the energy.
  • #1
freedom856
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Homework Statement


The cation [CH2=CH-CH2]+ has a delocalized pi network that can be described using Huckel Molecular Orbital Method. Calculate the pi bonding formation energy



2. The attempt at a solution
Using matrix, energy = alpha, alpha + root2 beta , alpha-root2 beta

The pi electron bonding energy(Ebf) is equal to pi electron bonding energy(Epi)-N (alpha), where N is number of carbon atom in the molecules so

Ebf = 2(alpha+root2 beta)-3alpha
but, the suggested answer is N=2 can anyone tell me why N is 2 but not 3
 
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  • #2
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Hello!

The reason why N is considered to be 2 in this case is because the cation [CH2=CH-CH2]+ has a delocalized pi network that includes only two carbon atoms. The third carbon atom is not included in the pi network and does not contribute to the pi bonding formation energy. Therefore, N=2 is the correct value to use in this calculation.

I hope this helps clarify your question. Let me know if you have any further doubts.
 

1. What is a pi bond?

A pi bond is a type of covalent bond where two atomic orbitals overlap side by side, creating a bonding electron cloud above and below the bond axis. It is typically formed between two adjacent p orbitals.

2. What is the allyl cation?

The allyl cation is a positively charged organic molecule consisting of three carbon atoms and one positive charge. It is often represented as CH2=CH-CH2+.

3. How is the pi bond formation energy of allyl cation calculated?

The pi bond formation energy of allyl cation is calculated by subtracting the energy of the reactants (allyl cation and the corresponding base) from the energy of the products (allyl cation with the added pi bond).

4. What factors affect the pi bond formation energy of allyl cation?

The pi bond formation energy of allyl cation can be affected by factors such as the size and electronegativity of the atoms involved, the distance between the bonding orbitals, and the presence of any electron-withdrawing or donating groups.

5. Why is the pi bond formation energy of allyl cation important?

The pi bond formation energy of allyl cation is important because it helps predict the stability and reactivity of the molecule. A higher pi bond formation energy indicates a more stable molecule, while a lower energy indicates a more reactive molecule.

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