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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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

  • 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