Winspec: A Microwave Spectroscopy Tour

Ian J. McNaught
University of Sydney, Sydney, Australia
Rory Moore
University of Natal, Pietermaritzburg, South Africa
J. Chem. Educ., 1996, 73 (6), p 523
DOI: 10.1021/ed073p523.2
Publication Date (Web): June 1, 1996

Abstract

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 (). 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.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE Software

Keywords (Subject):

Spectroscopy
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  • Received: August 03, 2009

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