JCE Online Journal of Chemical Education
 | Subscriptions  | Software Orders  | Support  | Contributors  | Advertisers  | 

JCE Print
   Current Issue
 Previous Issues
 Supplements
 Search JCE Index

JCE Digital Library
   DigiDemos
 QBank
 SymMath
 WebWare

JCE Software
   Latest Releases
 Software & Video
 Downloads
 Support

Only@JCE Online
   JCE Online Store
 JCE HS CLIC
 JCE Discussion Forums
   Biographical Snapshots
 ChemEd Resource Shelf
 Featured Molecules
 Hal's Picks
 Project Chemlab
 Reviewed WWW Sites
 "Web-Ed" Articles

About JCE
   Features
 Publications
 Operations
 Outreach
 Contact Us


  Home > JCE Print > Journal of Chemical Education > Issues > 1998  > July  >
In the Laboratory
The Energy Profile for Rotation about the C-C Bond in Substituted Ethanes: A Multi-Part Experimental Computational Project for the Physical Chemistry Laboratory
Luther E. Erickson and Kevin F. Morris
Grinnell College, Department of Chemistry, PO Box 805, Grinnell, IA 50112-0806
Cover
July 1998
Vol. 75 No. 7
p. 900
Abstract
This paper describes a multi-part project for the physical chemistry lab that includes both experimental and computational approaches to the investigation of the energy profile for internal rotation in substituted ethanes. Experimental approaches include dipole moment determinations, high-resolution nmr spectroscopy (including coupling constant determinations from the analysis of C-13 satellites), and infrared spectral analysis, all directed toward the goal of determining the relative populations - and thereby the relative energies - of low energy rotamers of a substituted ethane as a function of substituent, temperature and solvent composition. These analyses are in turn compared with the results of theoretical calculations involving both molecular mechanics and quantum mechanics, including both semi-empirical and ab initio methods. The whole project takes 4-5 lab periods and provides a good example of the close interaction between theory and experiment that is typical of research in physical chemistry.

See Letter re: this article.
More Information
*  Citation
 Erickson, Luther E.; Morris, Kevin F. J. Chem. Educ. 1998 75 900.
*  Keywords
 Laboratory Instruction, Physical/Theoretical, Organic Chemistry, Computational Chemistry, Stereochemistry
*  History
 Created:
Last Updated:		 June 22, 1999
June 24, 2005
Link to Letter added (April 2004).
<< Previous Article Table of Contents Next Article >>
  Home > JCE Print > Journal of Chemical Education > Issues > 1998 > July > Page 900


Subscriptions
 Subscription Info
 Order Forms

JCE HS CLIC

Our Secondary School editors work hard to distill all the JCE materials to produce a fraction of particular interest to high school teachers. We call it CLIC.
 JCE HS CLIC

Contributions Welcome
JCE welcomes your submission
 Contributors' Corner

Advertisers
In recent years we have worked hard to better match our advertisers with our readers. When shopping for chemistry education materials, visit our advertisers' WWW sites first.
 Recent Advertisers

Be An Ambassador
Take JCE along on your outreach missions. Copies of the Journal, guest access to JCE Online, our publications catalog, and more are available for your participants.
 Outreach with JCE

Comments to
jceonline@chem.wisc.edu		 Copyright © Division of Chemical Education, Inc., American Chemical Society.
All rights reserved.