Analyze and rationalize the relative energies of the three conformers for your b

Question

Analyze and rationalize the relative energies of the three conformers for your biaryl compound in the following manner:

1. Describe which conformation(s) minimize steric repulision

2. Describe which conformation(s) maximize inter-ring pi-conjugation

3. Rationalize the dihedral angle of your energy minimized biaryl compound

4. Rationalize the fact that the 0 degree and 90 degree conformations are transition states.

Relative energies:

0 Degree conformer (transtion state) relative energy: 3.1301 kcal/mol

90 Degree conformer (transition state0 relative energy: 2.815 kcal/mol

energy minimum conformation relative energy: 0 kcal/mol

Images of these three conformations are shown below

Explanation / Answer

1. The 2nd structure minimizes steric repulsion as the plane of two benzene rings are perpendicular to each other.

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