1,3-diaxial interactions

Investigate steric interactions in cyclohexane derivatives.

Tasks

  1. Create and optimize a cyclohexane molecule
  2. Add methyl substituents to 1 and 3 positions in diequatorial positions, optimize and note the energy
  3. Delete diequatorial substituents, to return to cyclohexane, optimize again
  4. Place methyl substituents in 1,3-diaxial positions, optimize and note the movement of the groups and the energy

Solution

  TeachDiaxial_cyclohexane.png TeachDiaxial_diequatorial.png TeachDiaxial_diaxial.png
Molecule Unsubstituted cyclohexane Diequatorial Diaxial
Energy 30 kJ/mol 40 kJ/mol 98 kJ/mol

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