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Astron. Astrophys. 348, 17-24 (1999)


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Theoretical rotational constants and IR signatures of protonated polycarbon dioxides [FORMULA]

F. Cheikh 1,2 and F. Pauzat 1

1 Laboratoire d'Etude Théorique des Milieux Extrêmes, Ecole Normale Supérieure, 24 rue Lhomond, F-75231 Paris Cedex 05, France
2 Laboratoire de Chimie Théorique, Institut de Chimie, USTHB, B.P.32 El Alia, 16111 Bab Ezzouar, Alger, Algérie

Received 19 January 1999 / Accepted 21 April 1999

Abstract

This study considers the possibility of astronomical detection of members of the [FORMULA] series; these are possible tracers of the parent polycarbon dioxide molecules, [FORMULA]. Direct radio detection of these molecules is not possible owing to non existent or too small dipole moments. The structures of all stable isomers were determined according to protonation sites. Rotational constants and dipole moments for the most stable protonated species were predicted by molecular electronic structure calculations and the error bar was estimated using a combination of observed data on the starting member of the series, [FORMULA], and the closely related family of polycarbon monoxides, [FORMULA]. These molecular constants, accurate to within 0.2%, along with the calculated IR spectra, should assist in the identification of these species in the laboratory and in tentative assignments of interstellar lines.

Key words: Magnetohydrodynamics (MHD) – molecular data – radio lines: ISM

Send offprint requests to: F. Pauzat

© European Southern Observatory (ESO) 1999

Online publication: July 16, 1999

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