The main stages of the Grignard reagent formation are described in a framework of quantum chemical cluster model. We have established two kinds of the adsorption of CH3 Hal on Mgn clusters, one of which leads to radical formation and the second is responsible for radical free dissociate adsorption. The charge redistribution in cluster CH3 Mgn Hal result to the strong electrostatic interaction with ether and Grignard reagent formation without any activation barrier.

Original languageEnglish
Title of host publicationSelfOrganization of Molecular Systems
Subtitle of host publicationFrom Molecules and Clusters to Nanotubes and Proteins
EditorsNino Russo, Victor Ya Antonchenko, Eugene Kryachko
PublisherSpringer Nature
Pages385-397
Number of pages13
ISBN (Electronic)978-90-481-2590-6
ISBN (Print)9789048124831
DOIs
StatePublished - 2009

Publication series

NameNATO Science for Peace and Security Series A: Chemistry and Biology
ISSN (Print)1874-6489

    Scopus subject areas

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology (miscellaneous)
  • Safety, Risk, Reliability and Quality

    Research areas

  • Grignard reagent formation, Magnesium clusters, Quantum chemical study

ID: 4553266