Theoretical study of geometries and 1H-chemical shifts of cycloarenes

Vogler, Helmut

doi:10.1016/0166-1280(85)80095-6

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Theoretical study of geometries and 1H-chemical shifts of cycloarenes

Vogler, H. (1985). Theoretical study of geometries and 1H-chemical shifts of cycloarenes. Journal of Molecular Structure (Theochem), 122(3-4), 333-341. doi:10.1016/0166-1280(85)80095-6.

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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 geometries of the cycloarenes 1–6 with 9–12 annelated benzene rings are determined by means of a π-SCF force-field approach. 1H-chemical shifts are calculated by taking into account ring current and local anisotropic contributions. The importance of annulenoid resonance structures is discussed.

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Language(s): eng - English

Dates: Submitted: 1984-11-29Published Online: 2001-11-21Date issued: 1985-05

Publication Status: Issued

Pages: 9

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Identifiers: DOI: 10.1016/0166-1280(85)80095-6

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Title: Journal of Molecular Structure (Theochem)

Source Genre: Journal

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Publ. Info: Amsterdam : Elsevier

Pages: - Volume / Issue: 122 (3-4) Sequence Number: - Start / End Page: 333 - 341 Identifier: ISSN: 0166-1280
CoNE: https://pure.mpg.de/cone/journals/resource/954925482628