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Enumeration of internal rotation reactions and their reaction graphs

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Abstract

Threefold and twofold internal rotation reactions and their reaction graphs are enumerated using the generalized wreath product method developed by the author in an earlier paper. The correspondence between reaction directed graphs (digraphs) and finite topologies on isomers is established. It is shown that the reaction digraphs can be represented by Borel fields. Atropisomerism in polyphenyl compounds is discussed. Applications to spontaneous generation of optical activity and NMR spectroscopy are considered. Borel fields are enumerated by bumping squares of the upper rows of Young diagrams starting from the Young diagram containing just one row.

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Balasubramanian, K. Enumeration of internal rotation reactions and their reaction graphs. Theoret. Chim. Acta 53, 129–146 (1979). https://doi.org/10.1007/BF00548826

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Key words

  • Rotation reactions
  • Borel fields
  • Atropisomerism
  • Optical activity, spontaneous generation of ∼
  • NMR spectra