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Worksheet: Molecular Orbital Coefficients in Hückel Theory

Q1:

Based on the Hรผckel molecular orbital theory, the LUMO of conjugated cyclobutadiene ( C H ) 4 4 is:

  • A ๐›ผ โˆ’ ๐›ฝ
  • B ๐›ผ + ๐›ฝ
  • C ๐›ผ โˆ’ 2 ๐›ฝ
  • D ๐›ผ + 2 ๐›ฝ

Q2:

Based on the Hรผckel molecular orbital theory, the highest occupied molecular orbital (HOMO) for the benzene molecule has an energy of:

  • A ๐›ผ โˆ’ 2 ๐›ฝ
  • B ๐›ผ โˆ’ ๐›ฝ
  • C ๐›ผ + 2 ๐›ฝ
  • D ๐›ผ + ๐›ฝ