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The Chemical Educator

ISSN: 1430-4171 (electronic version)

Table of Contents

Abstract Volume 23 (2018) pp 188-191

Introduction to Infrared Spectroscopy: Trends and Interpretation via a Molecular Modelling App

Donna A. DiLullo and Marisa L. Blauvelt*

Department of Biology and Chemistry, Springfield College, 263 Alden St., Springfield, MA 01109,
Received June 21, 2018. Accepted July 24, 2018.

Published: 21 September 2018

Abstract. In this work, a two-part molecular modelling activity for an introductory infrared spectroscopy undergraduate laboratory experiment is described. iSpartan, a molecular modelling app available for hand held devices, is used to illustrate the relationships of bond strength and atomic mass with spectral band location. The foundational functional groups are also examined using the app, which results in a student generated IR correlation table.

Key Words: Computers in Chemistry; organic chemistry; infrared spectroscopy; molecular modelling app

(*) Corresponding author. (E-mail:

Article in PDF format (202 KB) HTML format

Supporting Materials:

Student handouts and instructor keys for part I and part II of the iSpartan activity are provided. (571 KB)

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