Reactions of experimentally known closo-C2B8H10 with bases. A computational study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00533158" target="_blank" >RIV/61388963:_____/20:00533158 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/20:00533158
Result on the web
<a href="http://hdl.handle.net/11104/0311630" target="_blank" >http://hdl.handle.net/11104/0311630</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/cryst10100896" target="_blank" >10.3390/cryst10100896</a>
Alternative languages
Result language
angličtina
Original language name
Reactions of experimentally known closo-C2B8H10 with bases. A computational study
Original language description
On the basis of the direct transformations of closo-1,2-C2 B8 H10 with OH(−) and NH3 to arachno-1,6,9-OC2 B8 H(−)13 and arachno-1,6,9-NC2 B8 H13, respectively, which were experimentally observed, the DFT computational protocol was used to examine the corresponding reaction pathways. This work is thus a computational attempt to describe the formations of 11-vertex arachno clusters that are formally derived from the hypothetical closo-B13 H(2−)13. Moreover, such a protocol successfully described the formation of arachno-4,5-C2 B6 H(−)11 as the very final product of the first reaction. Analogous experimental transformations of closo-1,6-C2 B8 H10 and closo-1,10-C2 B8 H10, although attempted, were not successful. However, their transformations were explored through computations.
Czech name
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Czech description
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Classification
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
10403 - Physical chemistry
Result continuities
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
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Crystals
ISSN
2073-4352
e-ISSN
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Volume of the periodical
10
Issue of the periodical within the volume
10
Country of publishing house
CH - SWITZERLAND
Number of pages
12
Pages from-to
896
UT code for WoS article
000584112200001
EID of the result in the Scopus database
2-s2.0-85092095947