Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT

ABSTRACT - Internet Electron. J. Mol. Des. January 2002, Volume 1, Number 1, 52-58

There Are No Antiaromatic Molecules in Interstellar Space Jun-ichi Aihara and Mutsumi Hirama Internet Electron. J. Mol. Des. 2002, 1, 52-58

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Abstract:
Some unsaturated interstellar molecules are cyclic in geometry. We aimed at estimating the degree of aromaticity in these molecules. π-Electrons in 14 ring molecules were enumerated using the B3LYP/6-31G** level of theory. TREs were then calculated for them. All interstellar ring molecules with π-electrons and their derivatives were found to be highly aromatic with large positive TREs. It seems quite likely that antiaromatic species are scarcely formed in interstellar space. This aspect of interstellar chemistry will be useful for designing or predicting unknown interstellar molecules.

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