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/

Zendy Plus

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

Zendy Tools

Zendy Open

The dianion [B 10 H 14 ] 2−  has attracted renewed attention due to its structural characteristics and a mercury-free synthesis route. Although its  arachno  structure has been reported, we explored the potential energy surface of B 10 H 14   2−  to identify more stable species. Subsequent analyses included bonding evaluation, kinetic studies, and Born-Oppenheimer molecular dynamics (BO-MD) simulations. Calculations indicate that the  closo -[B 10 H 10 ] 2− ⋯2H 2  complex is 21.5 kcal mol −1  more stable than the  arachno  structure. The complex is stable below 110 K but dissociates into  closo -[B 10 H 10 ] 2−  and H 2  at higher temperatures. The  arachno  isomer remains kinetically stable because a 30 kcal/mol activation barrier prevents its conversion. BO-MD simulations corroborate this kinetic stability, as the  arachno  framework is maintained during the trajectories. The effects of the solvent and the counterions were also examined and found to have a negligible influence on the relative energetics.

Thermodynamic and kinetic insights into B 10 H 14 and B 10 H 14 2−