The Chemical Educator
ISSN: 1430-4171 (electronic version)
Abstract Volume 18
(2013) pp 033-034
Interrelating Conjugation, Aromaticity, and the Acid-Base Chemistry of Aromatics via a Computational Question-Driven Exercise
Priscilla Bryant, Todd Davis*, and Robert W. Holman*
Department of Chemistry, Idaho State University, Pocatello, ID, 83201, firstname.lastname@example.org Received November 25, 2012.
Published: 22 Febuary 2013
Abstract. A sophomore-level organic chemistry computational exercise centering upon the inter-related concepts of conjugation, aromaticity, and the acid/base chemistry associated with aromatics that can be incorporated into the laboratory setting or can be assigned as homework prior to the teaching of these concepts in lecture is described. An instructor-generated inductive approach is utilized to enable students to generate principles from data, to facilitate the student’s ability to tether together interpretations from multiple data sets, and to enable the visualization of the concepts derived. The computational exercise in final form suitable for distribution to students, a complete instructional guide to equip students with the detailed procedures for performing each computational step and an instructor’s guide with the complete answers for the entire exercise are included.
Key Words: Computers in Chemistry; organic chemistry; computational
(*) Corresponding author. (E-mail: email@example.com)
Supporting Materials:Three documents are provided within the supplemental materials section of this manuscript. They are: 1) the computational exercise in final form suitable for distribution to students, 2) a complete Instructional Guide for the use of Spartan V4.1.2 to equip students with the detailed procedures for performing each computational step, and 3) an instructor’s guide with the complete answers for the entire exercise (708 KB)