1,3-diaxial interactions
Investigate steric interactions in cyclohexane derivatives.
Tasks
Create and optimize a cyclohexane molecule
Add methyl substituents to 1 and 3 positions in diequatorial positions, optimize and note the energy
Delete diequatorial substituents, to return to cyclohexane, optimize again
Place methyl substituents in 1,3-diaxial positions, optimize and note the movement of the groups and the energy
Solution
Categories:
Teaching
Updated: February 13, 2017
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This is a companion discussion topic for the original entry at https://avogadro.cc/teaching/13_diaxial_interactions/