Experimental and theoretical study of the metallotropic migrations in cyclooctatetraeneosmiumtricarbonyl

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

研究成果: Article査読

6 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)12498-12502
ページ数5
ジャーナルJournal of Physical Chemistry B
109
25
DOI
出版ステータスPublished - 2005 6 30

ASJC Scopus subject areas

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

フィンガープリント 「Experimental and theoretical study of the metallotropic migrations in cyclooctatetraeneosmiumtricarbonyl」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル