Build the two cations of methylcyclohexane, at the 1 and 2 positions, at the top of page 106 in your lab manual. Make su
Posted: Wed Jul 06, 2022 10:30 am
Build the two cations of methylcyclohexane, at the 1 and 2positions, at the top of page106 in your lab manual. Make sure to use an equatorial methyl groupfor both. Whenyou delete the yellow bond placeholder, you can create the + chargeat that center. Runan equilibrium geometry calculation using HF with the 3-21G basisset. Make sure youset the charge to cation before you submit your calculation. Whichcation is lower inrelative energy (kcal/mol)? Does this make sense structurally?Examine the bond anglesmade by the methyl hydrogens and the cationic carbon.(H-Cmethyi-Ccation) in the tertiarycation structure. Can you explain why these values are sodifferent?