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Question: 3. The 12 π molecular orbitals of planar biphenyl can be generated from taking linear combination…

by | Nov 28, 2023 | questions



Question: 3. The 12 π molecular orbitals of planar biphenyl can be generated from taking linear combination...

Show transcribed image text 3. The 12 π molecular orbitals of planar biphenyl can be generated from taking linear combinations of the 6 π orbitals of two molecules of benzene. Shown below are the + and-combinations of the first MO of benzene, which makes up the first and second π orbitals of biphenyl. The ㎡, and are labeled with respect to the new bond that is formed (shown in the box), and will make the bonding slightly lower in energy and the antibonding slightly higher in energy, as shown below See Fig 13.22 for the π molecular orbitals of benzene TP a. The HOMO and LUMO for benzene each consists of degenerate sets of molecular orbitals shown below. Mb the both sets of degenerate π orbitals to generate a total of 8 new molecular orbitals for biphenyl. Sketch and label each MO as 、㎡b or TT" with respect to the new bond formed as shown above. Number the MO's derived from the benzene HOMO's 3 through 6, and the ones from the LUMO's 7 through 10, in order of increasing energy. Identify the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO) for biphenyl. Benzene LUMO Benzene HOMO

3. The 12 π molecular orbitals of planar biphenyl can be generated from taking linear combinations of the 6 π orbitals of two molecules of benzene. Shown below are the + and-combinations of the first MO of benzene, which makes up the first and second π orbitals of biphenyl. The ㎡, and are labeled with respect to the new bond that is formed (shown in the box), and will make the bonding slightly lower in energy and the antibonding slightly higher in energy, as shown below See Fig 13.22 for the π molecular orbitals of benzene TP a. The HOMO and LUMO for benzene each consists of degenerate sets of molecular orbitals shown below. Mb the both sets of degenerate π orbitals to generate a total of 8 new molecular orbitals for biphenyl. Sketch and label each MO as 、㎡b or TT" with respect to the new bond formed as shown above. Number the MO's derived from the benzene HOMO's 3 through 6, and the ones from the LUMO's 7 through 10, in order of increasing energy. Identify the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO) for biphenyl. Benzene LUMO Benzene HOMO

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