Literature DB >> 15669038

Ellipticity: a convenient tool to characterize electrocyclic reactions.

Carlos Silva López1, Olalla Nieto Faza, Fernando P Cossío, Darrin M York, Angel R de Lera.   

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.

Mesh:

Year:  2005        PMID: 15669038     DOI: 10.1002/chem.200401026

Source DB:  PubMed          Journal:  Chemistry        ISSN: 0947-6539            Impact factor:   5.236


  3 in total

1.  Topological description of the bond-breaking and bond-forming processes of the alkene protonation reaction in zeolite chemistry: an AIM study.

Authors:  María Fernanda Zalazar; Nélida Maria Peruchena
Journal:  J Mol Model       Date:  2010-12-31       Impact factor: 1.810

2.  Theoretical investigation on hydrogen bond interaction of diketo/keto-enol form uracil and thymine tautomers with intercalators.

Authors:  V S Anithaa; S Vijayakumar; M Sudha; R Shankar
Journal:  J Mol Model       Date:  2017-11-06       Impact factor: 1.810

3.  A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation.

Authors:  Khodayar Gholivand; Mohammad Kahnouji; Yazdan Maghsoud; Ehsan Masumian; Mahdieh Hosseini
Journal:  J Mol Model       Date:  2018-10-29       Impact factor: 1.810

  3 in total

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