Counting Sets of Constitutional and Chiral Isomers: Another Use of Group Theory in Chemistry

TCE

The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

Abstract Volume 25 (2020) pp 5-7

Counting Sets of Constitutional and Chiral Isomers: Another Use of Group Theory in Chemistry

Spencer Coile^†, Stephen J. Savioli^†, Tad S.Whiteside^‡, and Clifford W. Padgett*^,†

^†Department of Chemistry and Biochemistry, Georgia Southern University, Savannah GA, 31419, cpadgett@GeorgiaSouthern.edu; ^‡Savannah River National Laboratories, Aiken SC 29808
Received August 13, 2019. Accepted January 15, 2020.

Published: 27 January 2020

Abstract. Students in physical chemistry laboratories use group theory to count the number of unique positional isomers and chiral isomers of various compounds. Students use their knowledge of group theory and are introduced to Pólya’s counting theorem in order to generate a polynomial equation in which the coefficients are the number of isomers of a given type, and the number of enantiomer pairs. In addition, it affords an opportunity to introduce chemistry students to computer algebra software like Wolfram Mathematica. This laboratory exercise offers an excellent approach, for physical chemistry or computational chemistry courses, to expose students to the role of group theory in chemistry beyond the standard IR and Raman spectroscopy applications.

Key Words: Laboratories and Demonstrations; physical chemistry

(*) Corresponding author. (E-mail: cpadgett@GeorgiaSouthern.edu )

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Supporting Materials:

Instructor’s notes; handouts for students are available online. (123 KB)