Worksheet: Molecular Orbital Coefficients in Hückel Theory

In this worksheet, we will practice using the secular equations in Hückel theory to estimate the energy level diagrams of conjugated molecules.

Q1:

Fill in the blank: Based on the Hückel molecular orbital theory, the LUMO of conjugated cyclobutadiene (CH)44 has the energy of .

  • A 𝛼 + 2 𝛽
  • B 𝛼 + 𝛽
  • C 𝛼 − 𝛽
  • D 𝛼 − 2 𝛽

Q2:

Fill in the blank: Based on the Hückel molecular orbital theory, the highest occupied molecular orbital (HOMO) for the benzene molecule has an energy of .

  • A 𝛼 − 2 𝛽
  • B 𝛼 − 𝛽
  • C 𝛼 + 𝛽
  • D 𝛼 + 2 𝛽

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