Question

Carry out an energy minimization to calculate the relative steric energies or heats of formation of three of the ten possible isomeric dibenzalacetones

Answer 1

Calculate the steric energy or heat of formation for one single bond isomel of trans-benzAlacetone using the usual energy minimization procedure. The result should be a planar molecule, Then deliberately hold the dihedral angle defined by atoms 1, 2, 3, and 4 at 0 90, and 180 and again calculate the energies of the molecule.