English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

In this research, a theoretical kinetic study was conducted on several proposed reaction mechanism pathways associated with the formation of TeF 6  in gas phase (Te (g) + 3F 2 (g) → TeF 6 (g)). Detailed experimental and theoretical mechanistic knowledge on the formation of TeF 6  in the gas phase is limited. TeF 6  is one of the most prevalent hexafluoride compounds with important industrial and significant applications. The favourable energetic pathway is initiated by the homolytic breaking of the bond of F 2  molecules and the formation of [TeF] •  and F •  species. The reaction between these two species leads to TeF 2  as an intermediate. Utilising excess F 2  (g) in the reaction, the heterolytic cleavage of F 2  bond in the presence of TeF 2  leads to the formation of ionic species including [TeF 3 ] +  and F - , which react with each other to produce TeF 4 . The reaction of TeF 4  with excess F 2  (g) leads to the formation of TeF 6 . The optimised structures of the reactants (REs), transition states (TSs), intermediates (IMs), and products (PRs) were determined for each pathway. All calculations were performed at the density functional theory (DFT) employing the M06-2X functional.

Theoretical study of the mechanism of Te (g) + 3F 2 (g)→TeF 6 (g)