(Solved): La Voo cis-1,2-dichlorocyclohexane trans-1,2-dichlorocyclohexane 3. Make a model of cyclohexanol wi ...

La Voo cis-1,2-dichlorocyclohexane trans-1,2-dichlorocyclohexane 3. Make a model of cyclohexanol with an equatorial hydroxyl group, optimize it's structure using AM1 theory. Do the same with a cyclohexanol model having an axial hydroxyl group. Which is the more stable conformation? What is the energy difference between them in kilocalories per mole? 4. What are the optimized energies of cis- and trans-4-methylcyclohexanol? How does the difference between these two compare with the difference between axial and equatorial cyclohexanol? 5. Predict whether 1,1,2,2-tetrafluoroethane has a dipole moment or not by drawing Newman projections of the various staggered conformations. Verify your answer by examining the anti and gauche conformations in WebMO. You can build the molecule and adjust the H-C-C-H dihedral angle to the appropriate value, similar to how you did in the dihedral angle scan in problem #1. Minimize the structures using AM1 theory level. Verify your dipole moments for each structure. a 6. In WebMo build a model of 1,2-dichloro-1-fluoroethane. Conduct a dihedral angle coordinate scan by initially setting the CI-C-C-Cl bond to 00. Scan from 0.01° through 360° using the AMI theory level. Consult exercise #1 for more details about the calculation. At what dihedral angle is the minimum energy found? Explain why the angle is not exactly 180° Now, simply compare the geometries of the two nitrogen functional groups. Were they what you predicted? Next I want you too look at the Highest Occupied Molecular Orbital (HOMO) for each molecule. The loan pairs of electrons on a molecule generally occupy the HOMO. For the first molecule, ethylamine, the HOMO is molecular orbital 13. For the second molecule, acetamide, the HOMO is molecular orbital 16. Focus on the component of the orbital over the nitrogen atom in each molecule. Going back to Valence Bonding Theory, what type of orbital, sp-, spº, or sp-, does the lone pair of electrons look like it resides in? Would Valence Bonding Theory have predicted this?