JCE Software, 4D1: Winspec

Win spec: A Microwave Spectroscopy Tutor

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

Note:
This program is included in the Advanced Chemistry Collection (SP-28).

To Order Advanced Chemistry Collection

Winspec illustrates aspects of the microwave spectra of linear molecules. It is based on a DOS program by the same authors previously published by JCE: Software (1). 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.
Lectures on microwave spectroscopy are commonly included in the undergraduate curriculum; however, few institutions have microwave spectrometers in the undergraduate laboratories.

This screen from Winspec allows you to change conditions to illustrate the Stark Effect for the 2<--1 transition.
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 D of JCE: Software require Microsoft Windows version 3.1 or later and associated hardware as defined by Microsoft. We recommend an IBM-PC or compatible computer with a 80386 or higher processor, a minimum of 4 MB of memory, a hard disk, one floppy disk drive to install the software, a mouse, and a Windows-compatible graphics card, such as an IBM VGA or Super VGA adapter with a compatible color monitor. DOS 5.0 or later is highly recommended. The issue is supplied on 3.5-in. disks.
Literature Cited

McNaught, I. J.; Moore, R.; "Microwave Spectroscopy Tutor", J. Chem. Educ.: Software , 1995, 8B No. 2.

First Published: July 1996
Citation: McNaught, I. J.; Moore, R. . Win spec: A Microwave Spectroscopy Tutor J. Chem. Educ. Software 4D1
Keywords: Lecture Aid; Computer Room; Simulation; Physical; Microwave spectroscopy; Rotational spectroscopy

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Last Updated: July 19, 2001
Created: December 3, 1996 Created by: J. L. Holmes
Comments to: jceonline@chem.wisc.edu

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



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

Note:	This program is included in the Advanced Chemistry Collection (SP-28). To Order Advanced Chemistry Collection

Winspec illustrates aspects of the microwave spectra of linear molecules. It is based on a DOS program by the same authors previously published by JCE: Software (1). 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. Lectures on microwave spectroscopy are commonly included in the undergraduate curriculum; however, few institutions have microwave spectrometers in the undergraduate laboratories. This screen from Winspec allows you to change conditions to illustrate the Stark Effect for the 2<--1 transition. 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 D of JCE: Software require Microsoft Windows version 3.1 or later and associated hardware as defined by Microsoft. We recommend an IBM-PC or compatible computer with a 80386 or higher processor, a minimum of 4 MB of memory, a hard disk, one floppy disk drive to install the software, a mouse, and a Windows-compatible graphics card, such as an IBM VGA or Super VGA adapter with a compatible color monitor. DOS 5.0 or later is highly recommended. The issue is supplied on 3.5-in. disks. Literature Cited McNaught, I. J.; Moore, R.; "Microwave Spectroscopy Tutor", J. Chem. Educ.: Software , 1995, 8B No. 2.


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

Last Updated: July 19, 2001 Created: December 3, 1996	Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu

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