Quantum-Chemical Investigation of Intermediates in the Addition of Phenylsulfenium Cation to Substituted Acetylenes View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2004-03

AUTHORS

A. M. Nesterenko, V. I. Staninets

ABSTRACT

The reaction paths for the transformations of substituted acetylenes (X—C≡C—Y; X, Y = H, Me, Ph, CN) in reaction with phenylsulfenium cation were studied by quantum-chemical methods. It was shown that the reactions take place with the formation of acyclic and cyclic cationic intermediates. The factor that determines the structure and characteristics of these cations is the induction and polarizing action of the substituents in the acetylenes and to a lesser degree their electron-donor characteristics. The resonance effect of the phenyl substituent has a predominantly levelling action on the distribution of charges. More... »

PAGES

77-85

References to SciGraph publications

  • 1990-03. MOPAC: A semiempirical molecular orbital program in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • Identifiers

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    http://scigraph.springernature.com/pub.10.1023/b:thec.0000028901.13190.e7

    DOI

    http://dx.doi.org/10.1023/b:thec.0000028901.13190.e7

    DIMENSIONS

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