Ellipticity: A convenient tool to characterize electrocyclic reactions

Carlos Silva López, Olalla Nieto Faza, Fernando P. Cossió, Darrin York, Angel R. De Lera

Research output: Contribution to journalArticle

64 Scopus citations

Abstract

The ellipticity of the electron density is proposed as a convenient tool to characterize electrocyclic reactions. The study of the electron density offers several advantages since it is an experimental observable. This simple topological index has proven powerful and robust for the characterization of a wide variety of electrocyclic and pseudoelectrocyclic processes. This property is sensitive to changes in the anisotropy of the electron density in the bond-forming region and provides an insightful description of the events occurring along the reaction coordinate.

Original languageEnglish (US)
Pages (from-to)1734-1738
Number of pages5
JournalChemistry - A European Journal
Volume11
Issue number6
DOIs
StatePublished - Mar 4 2005
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Organic Chemistry

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