Chapter 8, Problem 4Q

Interpretation Introduction

Interpretation:

When the same computational chemistry method is performed by two different students, the reason for the different values for conformations needs to be explained and the method of determining the lowest energy value in this case needs to be discussed.

Concept Introduction:

Chair-like conformation for cyclohexane molecule is a three-dimensional way of representing the molecule. This is a non-planar conformation with all the angles approximately equal to 109.5^o. This is stable conformation because it has lower strain energy than the flat hexagonal shape. All the carbon centers are equivalent in the chair conformation. In the flat hexagonal shape, the wedge and dashed bonds represent the group attached directed away and towards the plane of paper respectively. In the chair conformation, these wedge and dashed bonds are axial and equatorial respectively.