THE CARBON DIOXYDE MOLECULE: A TEST CASE FOR THE $r_{o}, r_{e}$ AND $r_{m}$ STRUCTURES

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Title: THE CARBON DIOXYDE MOLECULE: A TEST CASE FOR THE $r_{o}, r_{e}$ AND $r_{m}$ STRUCTURES
Creators: Granger, G.; Rossetti, C.; Bailly, D.
Issue Date: 1986
Publisher: Ohio State University
Abstract: Accurate experimental ground state rotational constants and reliable predicted vibration-rotation interaction constants are available for $CO_{2}$ and its isotopic varieties. Therefore $CO_{2}$. has been used as a test case to study the various internuclear distances. We found that the $r_{o}$. distances are dependent upon the mass of the central carbon atom and that, for for a given carbon isotope, $r_{o}$ is a linear function of the inverse of the reduced mass. This facts allows to interpolate $B_{o}$ values for $^{17}o$ containing molecules. The $r_{e}$ distances obtained, even from purely `theoretical' parameters, still show a small isotopic dependence which will be discussed. Finally we have applied Watson's $method^{(1)}$ to the symmetric and asymmetric varieties of $CO_{2}$ to derive the so-called $r_{m}$ distances. These $r_{m}$ distances are found to be very close to the $r_{e}$ distances, the average difference being only $5 \times 10^{-5}$ A.
Description: $^{1}$ J.K.G. Watson, J. Mol. Spectrosc. 48, 479-502 (1973) Address: Laboratoire d'Infrarouge (Associ\'{e} au C.N.R.S.), Bat. 350, Universit\'{e} de Paris-Sud, 91405 ORSAY, C\'{e}dex, France
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URI: http://hdl.handle.net/1811/16969
Other Identifiers: 1986-RB-2
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