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ERIC Number: EJ1014556
Record Type: Journal
Publication Date: 2013-May
Pages: 4
Abstractor: As Provided
ISSN: ISSN-0021-9584
Theoretical Hammett Plot for the Gas-Phase Ionization of Benzoic Acid versus Phenol: A Computational Chemistry Lab Exercise
Ziegler, Blake E.
Journal of Chemical Education, v90 n5 p665-668 May 2013
Computational chemistry undergraduate laboratory courses are now part of the chemistry curriculum at many universities. However, there remains a lack of computational chemistry exercises available to instructors. This exercise is presented for students to develop skills using computational chemistry software while supplementing their knowledge of physical organic chemistry, specifically Hammett plots. Students use quantum calculations to determine the gas-phase Gibbs energy of ionization of substituted benzoic acids and phenols to generate a theoretical Hammett plot, thereby familiarizing themselves with the application of computational chemistry to physical organic chemistry. (Contains 1 scheme, 1 table, and 2 figures.)
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A