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

Molecule	Unsubstituted cyclohexane	Diequatorial	Diaxial
Energy	30 kJ/mol	40 kJ/mol	98 kJ/mol