Calculation of proton chemical shifts of [14]- and [18]annulene

Vogler, Helmut

doi:10.1016/0022-2860(79)80303-8

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Calculation of proton chemical shifts of [14]- and [18]annulene

Vogler, H. (1979). Calculation of proton chemical shifts of [14]- and [18]annulene. Journal of Molecular Structure, 51, 289-293. doi:10.1016/0022-2860(79)80303-8.

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Vogler, Helmut¹, Author

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1Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society, ou_1497706

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Abstract: The ring current and local anisotropic contributions of the π electrons and the σ core to the proton chemical shifts of [14]- and [18]annulene are calculated within the π theory. It is shown that the calculated shifts can be matched with the observed ones only if a non-planar distorted structure for [14]annulene and a (nearly) planar structure with no appreciable bond length alternation is assumed for [18]annulene.

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Language(s): eng - English

Dates: Submitted: 1979-07-07Date issued: 1979

Publication Status: Issued

Pages: 5

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Identifiers: DOI: 10.1016/0022-2860(79)80303-8

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Title: Journal of Molecular Structure

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Publ. Info: Amsterdam : Elsevier

Pages: - Volume / Issue: 51 Sequence Number: - Start / End Page: 289 - 293 Identifier: ISSN: 0022-2860
CoNE: https://pure.mpg.de/cone/journals/resource/954925415947