JCE Software, 10B1: Microwave Spectroscopy Tutor

Microwave Spectroscopy Tutor

Ian J. McNaught
University of Sydney, Sydney, Australia
Rory Moore
University of Natal, Pietermaritzburg, South Africa

Note:
This program is out of print, but is available for free download by Journal of Chemical Education subscribers.
Go to the download page.

This program illustrates aspects of the microwave spectra of linear molecules. Spectra showing a range of features can be easily and quickly generated. Qualitative effects of temperature, centrifugal distortion, isotopic substitution, rotation-vibration interaction, l-type doubling, nuclear quadrupole interaction, line width and an electric field can be observed. By measuring the positions of the peaks it is possible to determine numerically:

rotational and centrifugal distortion constants;
bond lengths in a linear heteronuclear triatomic molecule;
rotation-vibration constants and equilibrium rotational constants;
l-type doubling constants;
nuclear quadrupole coupling constants;
dipole moments;
bond lengths, vibrational frequencies, anharmonicity constants, and dissociation energies of heteronuclear diatomic molecules.

Shown here are the rotational energies for HCN as calculated by Microwave Spectroscopy Tutor.

This figure shows the spectra generated for HCN. From this screen you can raise or lower the temperature and watch the effect on the spectra.

Lectures on microwave spectroscopy are commonly included in the undergraduate physical chemistry curriculum; however few institutions have microwave spectrometers in their undergraduate laboratories. This program is designed to give students a feel for the general appearance of microwave spectra and experience in calculating molecular parameters from measurements on spectra.
Hardware and Software Requirements
Programs in Series B of JCE Software require an IBM PC-compatible microcomputer with 640K RAM, a hard disk, one floppy disk drive, and VGA or better graphics. DOS 5.0 or greater is required.
Microwave Spectroscopy Tutor requires the DOS utility program GRAPHICS.COM in order to print. The program requires about 100 KB of hard disk space.

First Published: April 1997
Citation: McNaught, I. J.; Moore, R. . Microwave Spectroscopy Tutor J. Chem. Educ. Software 10B1
Keywords: Lecture Aid; Computer Room; Simulation; Physical; Microwave spectroscopy; Rotational spectroscopy

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Last Updated: April 26, 2001
Created: March 4, 1997 Created by: J. L. Holmes
Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.



Microwave Spectroscopy Tutor
Ian J. McNaught University of Sydney, Sydney, Australia Rory Moore University of Natal, Pietermaritzburg, South Africa

Note:	This program is out of print, but is available for free download by Journal of Chemical Education subscribers. Go to the download page.

This program illustrates aspects of the microwave spectra of linear molecules. Spectra showing a range of features can be easily and quickly generated. Qualitative effects of temperature, centrifugal distortion, isotopic substitution, rotation-vibration interaction, l-type doubling, nuclear quadrupole interaction, line width and an electric field can be observed. By measuring the positions of the peaks it is possible to determine numerically: rotational and centrifugal distortion constants; bond lengths in a linear heteronuclear triatomic molecule; rotation-vibration constants and equilibrium rotational constants; l-type doubling constants; nuclear quadrupole coupling constants; dipole moments; bond lengths, vibrational frequencies, anharmonicity constants, and dissociation energies of heteronuclear diatomic molecules. Shown here are the rotational energies for HCN as calculated by Microwave Spectroscopy Tutor. This figure shows the spectra generated for HCN. From this screen you can raise or lower the temperature and watch the effect on the spectra. Lectures on microwave spectroscopy are commonly included in the undergraduate physical chemistry curriculum; however few institutions have microwave spectrometers in their undergraduate laboratories. This program is designed to give students a feel for the general appearance of microwave spectra and experience in calculating molecular parameters from measurements on spectra. Hardware and Software Requirements Programs in Series B of JCE Software require an IBM PC-compatible microcomputer with 640K RAM, a hard disk, one floppy disk drive, and VGA or better graphics. DOS 5.0 or greater is required. Microwave Spectroscopy Tutor requires the DOS utility program GRAPHICS.COM in order to print. The program requires about 100 KB of hard disk space.


News \| Issues \| CD-ROM / Video \| Find It! \| Technical Support \| For Authors
JCE Online \| Journal \| Software \| Internet \| Happenings \| About JCE \| Contact JCE

Last Updated: April 26, 2001 Created: March 4, 1997	Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu

© 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved.