Question

VII. Calculations of the Conformations of Substituted Cyclohexanes In this exercise, you will examine the conformational equilibrium between axial and equatorial methylcyclohexane. Begin by drawing a methylcyclohexane using ChemDraw. Don't forget about the rings shown at the bottom of the toolbar. Chem3D will automatically put the methyl group in the low energy equatorial conformation. Minimize the energy using the calculations) menu. Select MM2 and then Minimize Energy. A dialog box will open, select Run. Record the energy here: 10.3919 Drawing the axial methylcyclohexane is a little bit tougher, because Chem3D will always position the substituents in the lowest energy form when drawn in ChemDraw. Instead draw a cyclohexane using ChemDraw. Go to Chem3D and select the single bond tool from the upper toolbar. Double click on one of the axial hydrogens (rotate the cyclohexane for a better view if necessary). A white text box will appear. Type CH3 (use capital letters) and press Enter. Now you can minimize the energy as before. Record the value of the energy for axial methylcyclohexane here: 3. 219. Which conformation of cyclohexane (axial or equatorial) is more stable? Calculate the difference in energy between the axial and equatorial conformations?

need the answer to the question:
calculate the difference in energy between the axial and equatorial conformations.

Answer 1

Energy of equatorial conformation of methyl cyclohexane - 6-8919 Energy of axial conformation of methyl cyclohexane – 866618 Conformation baveno lower energy will be more stable. Hence, equatorial conformation is more stable , Energy difference - Energy of axial conformation - Energy of → equatorial conformation = 8:6618_- 6*8919 1.7699