Experimental and theoretical study of the metallotropic migrations in cyclooctatetraeneosmiumtricarbonyl

Ilya D. Gridnev, Nurbosyn U. Zhanpelsov, Mia Karenina C. Del Rosario

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Experimental verification of the mechanism of metallotropic migrations in cyclooctatetraeneosmiumtricarbonyl (3) by means of 2D EXSY NMR spectroscopy confirmed the mechanism of [1,2]-Os shifts with low activation barrier (E A = 5.9 ± 0.2 kcal mol-1, ln A = 32 ± 1). Transition-state structure for this rearrangement obtained at the B3LYP/SDD level of theory testifies for the activation energy of 6.5 kcal mol -1 and supports well the selective [1,2]-Os shifts observed for 3.

Original languageEnglish
Pages (from-to)12498-12502
Number of pages5
JournalJournal of Physical Chemistry B
Volume109
Issue number25
DOIs
Publication statusPublished - 2005 Jun 30

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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