Crystallographic and quantum mechanical studies of azulene and guaiazulene carboxylic acids

CHED 370

Anna Blice-Baum, spyridis@jaguar1.usouthal.edu, Katrina Kalachnikova, spyridis@jaguar1.usouthal.edu, E. Alan Salter, asalter@jaguar1.usouthal.edu, Andrzej Wierzbicki, awierzbi@jaguar1.usouthal.edu, Richard Sykora, rsykora@jaguar1.usouthal.edu, and Greg T. Spyridis, spyridis@jaguar1.usouthal.edu. Department of Chemistry, University of South Alabama, Mobile, AL 36688
The X-ray structures of the carboxylic acids, 1-3, have been determined and their bond lengths and bond angles will be compared with those calculated using ab initio methods. Furthermore variations in the HOMO-LUMO gap as well as in the dipole moments of these nonalternate aromatic systems have been calculated and will be discussed.

 

Undergraduate Research Poster Session: Organic Chemistry
11:00 AM-1:00 PM, Monday, 27 March 2006 Georgia World Congress Center -- Ex. Hall B4, Poster

Division of Chemical Education

The 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006