Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F22%3A00557514" target="_blank" >RIV/61388980:_____/22:00557514 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.ica.2022.121000" target="_blank" >https://doi.org/10.1016/j.ica.2022.121000</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2022.121000" target="_blank" >10.1016/j.ica.2022.121000</a>

Result language
angličtina
Original language name
Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer
Original language description
On the basis of the experimentally observable transformation of closo-1,6-C2B8H10 to arachno-4,6-C2B7H12− with NBu4F, the DFT computational protocol has been used to examine the corresponding reaction pathway. Therefore, this work is a joint synthetic/computational attempt to describe the formation of such a 9-vertex arachno cluster. Analogous experimental transformations of closo-1,2-C2B8H10 and closo-1,10-C2B8H10 have been attempted and the corresponding arachno clusters have been afforded only computationally as the results of energetically demanding processes. For comparison, the identical reaction of icosahedral carboranes provided the fluoroborate anions BF4− and BHxF4−x− (x = 1–3) similarly as in the course of the reactions under scrutiny, but in the case of the 1,2- and 1,10-isomers as the only detectable products. The negative charge of the arachno-4,6-C2B7H12− product with respect to the neutral arachno-4,6-C2B7H13 is caused by a CH group instead of two CH2, detected for the latter.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry

Project
<a href="/en/project/GA19-17156S" target="_blank" >GA19-17156S: Chemistry of globular shaped hydrocarbons with boron–cage scaffolding inside the methylated sheath</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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