Using Molecular Modeling in the Organic Chemistry Course for Majors

TCE

The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

Abstract Volume 7 Issue 5 (2002) pp 293-296

Using Molecular Modeling in the Organic Chemistry Course for Majors

Ingrid Montes,* José A. Prieto, and Marilyn García

Department of Chemistry, University of Puerto Rico, Río Piedras Campus, P.O. Box 23346, San Juan, PR 00931-3346
Received April 17, 2002. Accepted August 9, 2002

Published online: 30 August 2002

Abstract. Molecular modeling provides a way to correlate theoretical concepts with experimental data; therefore, we have introduced organic chemistry students to molecular modeling early in the first semester. This approach provides students with additional skills for clarifying chemical and theoretical concepts by means of demonstrations in the classroom and hands-on tutorial modules. In this manner the impact of the active-learning process is increased. In addition, this tool allows us to further enhance laboratory experiments already developed using a guided-inquiry approach and to design new experiments. Chemical concepts such as conformational analysis, stereochemistry, IR spectra, molecular and electronic properties, molecular orbitals, and chemical reactivity are emphasized through this approach.

Key Words: Computers in Chemistry; organic chemistry; computational chemistry; molecular modeling

(*) Corresponding author. (E-mail: imontes@upracd.upr.clu.edu)

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