A computational chemistry experiment for the undergraduate laboratory: Beta-hydrogen elimination in small radicals

CHED 247

Thuy Le, rthrthrth, ghtrthrt, San Jose, CA 95192-0101 and Patrick E. Fleming, pfleming@sjsu.edu, Department of Chemistry, San Jose State University, One Washington Square, San Jose, CA 95192-0101.
Computational chemistry software is rapidly becoming ubiquitous. As such, increasing students' exposure to these tools in the undergraduate curriculum is important. Beta-hydrogen elimination reactions are convenient to study as they demonstrate many basic concepts that are typically discussed in general and organic chemistry courses. In this poster, examples of this type of reaction will be presented along with calculations performed at several levels of theory. Suggestions for the presentation of data that support curricular learning objectives will also be presented.
 

Undergraduate Research Poster Session: Chemical Education
2:30 PM-4:30 PM, Monday, 11 September 2006 Moscone Center -- Hall D, Poster

Division of Chemical Education

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006