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 Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Most H2 eliminations from cations in the gas phase are formally 1,1- or 1,2- processes. Larger ring size H2 eliminations are rare and little studied. Thus, whether the 6-center, 1,4- elimination CH3CH=N+HCH3--&gt;CH2=CHN+H=CH2+H2 is concerted and synchronous, as indicated by isotope effects and predicted by conservation of orbital symmetry, is a significant question. This reaction is characterized here by application of QCI and B3LYP theories. CH bond-breaking and H-H bond-making in this reaction are found by theory to be highly synchronized, consistent with previously established isotope effects and in contrast to "forbidden" 1,2-eliminations from organic cations in the gas phase. This reaction is made feasible by its conservation of orbital symmetry, the energy supplied by formation of the H-H bond, and a favorable geometry of the ion for eliminating H2.

Elimination of H2 from CH3CH=N+HCH3: A synchronous, concerted 1,4-H2 elimination

Elimination of H₂ from CH₃CH=N⁺HCH₃: A synchronous, concerted 1,4-H₂ elimination