The influence of halogenated hypercarbon on crystal packing in the series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I)

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00523138" target="_blank" >RIV/61388963:_____/20:00523138 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/20:00523138 RIV/00216275:25310/20:39916645
Result on the web
<a href="http://hdl.handle.net/11104/0307530" target="_blank" >http://hdl.handle.net/11104/0307530</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/molecules25051200" target="_blank" >10.3390/molecules25051200</a>

Result language
angličtina
Original language name
The influence of halogenated hypercarbon on crystal packing in the series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I)
Original language description
Although 1-Ph-2-X-closo-1,2-C2B10H10 (X = F, Cl, Br, I) derivatives had been computed to have positive values of the heat of formation, it was possible to prepare them. The corresponding solid-state structures were computationally analyzed. Electrostatic potential computations indicated the presence of highly positive σ-holes in the case of heavy halogens. Surprisingly, the halogen π interaction formed by the Br atom was found to be more favorable than that of I.
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10401 - Organic 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
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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