Computational study of the catalytic olefination reaction

Ilya D. Gridnev, Aleksey V. Shastin, Vasiliy M. Muzalevskiy, Elizabeth S. Balenkova, Valentine G. Nenajdenko

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Catalytic olefination of hydrazones was computed to proceed with effective activation barrier of 19.9 kcal mol-1. Initially the catalyst- assisted abstraction of Cl- anion from CCl4 occurs that is accompanied by simultaneous C-C bond formation; then proton is eliminated by ammonia present in the reaction mixture yielding a neutral intermediate; the second CuCl-assisted abstraction of Cl- anion from CCl3 group is followed by synchronous reaction that affords the olefination product and releases N2 together with CuCl.HCl.

Original languageEnglish
Pages (from-to)340-341
Number of pages2
JournalMendeleev Communications
Volume24
Issue number6
DOIs
Publication statusPublished - 2014 Nov

ASJC Scopus subject areas

  • Chemistry(all)

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    Gridnev, I. D., Shastin, A. V., Muzalevskiy, V. M., Balenkova, E. S., & Nenajdenko, V. G. (2014). Computational study of the catalytic olefination reaction. Mendeleev Communications, 24(6), 340-341. https://doi.org/10.1016/j.mencom.2014.11.008