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

The structural parameters and energies of the protonated compounds closo-[B 6 H 5 H fac F] -  and closo-[B-H 5 H fac CH 3 ] -  are calculated by MP2/6-31G* optimization, as have the  1 H,  11 B ,  13 C and  19 F NMR shifts using a tzp basis set and the RHF/GIAO method. The results for the octahedral molecule anions confirm the preferred localization of the additional proton in [B 6 H 5 H fac X] -  in case of X = CH 3  at the upper square pyramide topped by the ipso-boron atom, and in case of X = F at the lower one topped by the antipodal boron atom. The calculated NMR shifts are in good agreement with experimental data (this work). The higher BH frequencies observed for the protonated compounds as compared to the deprotonated parent clusters could be verified by ab initio frequency analyses.

zeitschrift für naturforschung b

Theoretische und experimentelle Untersuchungen zur Protonierung substituierter closo-Hexaborate -[B 6 H 5 H fac F] -  und [B 6 H 5 H fac CH 3 ] -  / Theoretical and Experimental Investigations on the Protonation of Substituted closo-Hexaborates -[B 6 H 5 H fac F] -  and [B 6 H 5 H fac CH 3 ] -