Question
One of the three HMO molecular orbitals (MOs) for allyl radical is given below:
ψ = ½ χ₁ – (1/√2) χ₂ + ½ χ₃
Find out all three MOs of allyl radical and arrange them in order of increasing energy. Justify your answer.
Answer :
Word Count : 150
Using Hückel/SALC for the three p orbitals the normalized π-MOs are ψ₁ = ½χ₁ + (1/√2)χ₂ + ½χ₃ (bonding, E = α + √2β), ψ₂ = (1/√2)χ₁ − (1/√2)χ₃ (nonbonding, E = α), ψ₃ = ½χ₁ − _________ ___ ______ ____ _________ ________ ___.
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Using Hückel/SALC for the three p orbitals the normalized π-MOs are ψ₁ = ½χ₁ + (1/√2)χ₂ + ½χ₃ (bonding, E = α + √2β), ψ₂ = (1/√2)χ₁ − (1/√2)χ₃ (nonbonding, E = α), ψ₃ = ½χ₁ − _________ ___ ______ ____ _________ ________ ___.
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