JCE Online Journal of Chemical EducationDivision of Chemical Education, American Chemical SocietyAmerican Chemical Society
 | Subscriptions  | Software Orders  | Support  | Contributors  | Advertisers  | 

JCE Print
   Current Issue
 Previous Issues
 Supplements
 Search JCE Index

JCE Digital Library
   ChemInfo
 DigiDemos
 Featured Molecules
 LivTexts
 LrnCom
 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 > 2006  > March  >
In the Laboratory
A Laboratory Assignment in 1H NMR Spectroscopy: A Comparative Analysis of Calculated and Experimental 1H NMR Chemical Shifts
Susan D. Van Arnum
Protein Data Bank, Rutgers, The State University of New Jersey, Piscataway, NJ 08854
Cover
March 2006
Vol. 83 No. 3
p. 429
Abstract
A computer program is used to determine the proton NMR chemical shifts of endo- and exo-norbornenyl ketones and these values are compared to the experimental values. As part of an undergraduate spectroscopy course, the differences in chemical shifts between the actual and the calculated values serve to underscore the importance of through-space shielding effects. However, a reasonable estimate of the proton NMR chemical shifts could not be obtained for the photoproduct of the endo-norbornenyl ketone. In this case, model substrates can be used to resolve this discrepancy and to facilitate the assignment of proton chemical shifts.
Supplement
Background information, detailed student procedures, ChemNMR Pro spectra, questions, and instructor's notes are available.
*  Contents JCE2006p0429W.doc (Microsoft Word)
*  Download
JCE2006p0429W.pdf

JCE2006p0429W.zip
More Information
*  Citation
 Van Arnum, Susan D. J. Chem. Educ. 2006 83 429.
*  Keywords
 Computer-Based Learning; Constitutional Isomers; Inquiry-Based / Discovery Learning; Laboratory Instruction; NMR Spectroscopy; Organic Chemistry; Photochemistry; Second-Year Undergraduate; Upper-Division Undergraduate
*  History
 Created:
Last Updated:		 1/31/2006
2/9/2006
<< Previous Article Table of Contents Next Article >>
  Home > JCE Print > Journal of Chemical Education > Issues > 2006  > March  > Page 429


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.