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  Nuclear magnetic resonance lineshape of a centrosymmetric array of four spin-½ nuclei. Structure of 4,4′-difluorobiphenyl

Halstead, T. K., Tegenfeldt, J., & Haeberlen, U. (1981). Nuclear magnetic resonance lineshape of a centrosymmetric array of four spin-½ nuclei. Structure of 4,4′-difluorobiphenyl. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 77, 1817-1823. doi:10.1039/F29817701817.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0004-F44C-4 Version Permalink: https://hdl.handle.net/21.11116/0000-0004-F44D-3
Genre: Journal Article

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JChemSocFaradayTrans2_77_1981_1817.pdf (Any fulltext), 434KB
 
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 Creators:
Halstead, Thomas K., Author
Tegenfeldt, Jörgen, Author
Haeberlen, Ulrich1, Author           
Affiliations:
1Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              

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 Abstract: A method is described for calculating the nuclear magnetic resonance lineshape for a centrosymmetric array of four spin-½ nuclei. The four-spin Hamiltonian was exactly diagonalized numerically and the effects of other nuclei were included approximately by using a Gaussian broadening function on the calculated multiplets. Application of the method to the analysis of experimental n.m.r. spectra for a single crystal of 4,4′-difluorobiphenyl showed that they are consistent with a model in which the protons occur in linear centrosymmetric groups of four, implying that the molecules are planar in the solid state. Interproton distances within the group were determined accurately.

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Language(s): eng - English
 Dates: 1981-02-131981
 Publication Status: Issued
 Pages: 7
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/F29817701817
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Title: Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
  Abbreviation : J. Chem. Soc., Faraday Trans. 2
Source Genre: Journal
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Publ. Info: London : Royal Society of Chemistry
Pages: - Volume / Issue: 77 Sequence Number: - Start / End Page: 1817 - 1823 Identifier: ISSN: 0300-9238
CoNE: https://pure.mpg.de/cone/journals/resource/0300-9238