Magnetic susceptibilities of some dehydro[12]annulenes

Stollenwerk , A. H; Kannellakopulos, B.; Vogler, Helmut

doi:10.1016/S0040-4020(01)91554-6 Get

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Magnetic susceptibilities of some dehydro[12]annulenes

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Vogler, Helmut
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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https://www.sciencedirect.com/science/article/pii/S0040402001915546/pdf?md5=9a0ff402ffa09295e85cd5f1c412febd&pid=1-s2.0-S0040402001915546-main.pdf
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Citation

Stollenwerk, A. H., Kannellakopulos, B., & Vogler, H. (1983). Magnetic susceptibilities of some dehydro[12]annulenes. Tetrahedron: Asymmetry, 39(19), 3127-3129. doi:10.1016/S0040-4020(01)91554-6 Get.

Cite as: https://hdl.handle.net/21.11116/0000-0003-4C65-7

Abstract

The magnetic susceptibilities χ and exaltations Λ of the dehydro[12]annulene 1 and its benzannelated derivatives 2–4 have been calculated by means of a modified Hückel theory taking into account ring-current (RC) and local contributions (LC) χRC and χLC to χ. For 4 the experimental χ value could be determined. The calculated χRC and Λ values indicate the anti- or nonaromatic nature of these diamagnetic compounds. The antiaromatic character of the 12-perimeter in 2–4 does not depend significantly on the number of annelated benzene rings. Furthermore the range of applicability of the Hückel theory for calculating magnetic susceptibilities of conjugated hydrocarbons with sp2- and sp-hydridized carbon atoms is discussed.