Spektri-Sim is a Windows-based software application for simulating and analyzing the infrared spectra of diatomic molecules.  It offers an alternative to the usual spreadsheet-based methods of analysis encountered by students in the physical chemistry laboratory.  Spektri-Sim features a unique, visual approach for evaluating molecular constants in which the student interactively seeks the optimal fit of a simulated spectrum to the experimental spectrum.  Using Spektri-Sim, students consider the influence that the molecular constants and temperature have on the features of the infrared spectrum.
Expt'l spectrum in green;
Simulated spectrum in red
Spektri-Sim is available, free-of-charge, either by contacting the corresponding author or preferably by downloading compressed copies of the installation diskettes.  The distribution includes Spektri-Sim, sample data for HCl, HBr, and CO, and a User's Guide.

Spektri-Sim has been installed and tested under Windows 95/98 using 133 MHz Pentium or faster processors with at least 16 MB of memory.  Video display resolution should be set to 800x600 or higher.

Optimized molecular
constants of CO

Spektri-Sim was written by Jarno M. Kansanaho and Eric D. Glendening.
Department of Chemistry, Indiana State University, Terre Haute, IN  47809
Comments to ericg@carbon.indstate.edu
Last updated:  July 3, 2000