Lecture 33 - Conformational Energy and Molecular Mechanics
recorded by: Yale University
published: June 10, 2010, recorded: December 2008, views: 2639
released under terms of: Creative Commons Attribution No Derivatives (CC-BY-ND)
Report a problem or upload filesIf you have found a problem with this lecture or would like to send us extra material, articles, exercises, etc., please use our ticket system to describe your request and upload the data.
Enter your e-mail into the 'Cc' field, and we will keep you updated with your request's status.
Understanding conformational relationships makes it easy to draw idealized chair structures for cyclohexane and to visualize axial-equatorial interconversion. After quantitative consideration of the conformational energies of ethane, propane, and butane, cyclohexane is used to illustrate the utility of molecular mechanics as an alternative to quantum mechanics for estimating such energies. To give useful accuracy this empirical scheme requires thousands of arbitrary parameters. Unlike quantum mechanics, it assigns strain to specific sources such as bond stretching, bending, and twisting, and van der Waals repulsion or attraction.
Problem sets/Reading assignment:
Reading assignments, problem sets, PowerPoint presentations, and other resources for this lecture can be accessed from Professor McBride's on-campus course website, which was developed for his Fall 2008 students. Please see Resources section below.
Link this pageWould you like to put a link to this lecture on your homepage?
Go ahead! Copy the HTML snippet !