Thiaboranes on Both Sides of the Icosahedral Barrier: Retaining and Breaking the Barrier with Carbon Functionalities
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39915525" target="_blank" >RIV/00216275:25310/19:39915525 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/19:00506139 RIV/61388963:_____/19:00506139
Result on the web
<a href="https://onlinelibrary.wiley.com/doi/full/10.1002/cplu.201900115" target="_blank" >https://onlinelibrary.wiley.com/doi/full/10.1002/cplu.201900115</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cplu.201900115" target="_blank" >10.1002/cplu.201900115</a>
Alternative languages
Result language
angličtina
Original language name
Thiaboranes on Both Sides of the Icosahedral Barrier: Retaining and Breaking the Barrier with Carbon Functionalities
Original language description
The concept of icosahedral barrier has been expanded from the chemistry of carbaboranes to the area of thiaboranes. Both representatives of this barrier, i. e., closo-1,2-C2B10H12 and closo-1-SB11H11, are similar in their electron distribution, which is dominated by positive charge in the midpoint of the C-C vector and on the sulfur atom with experimentally determined dipole moments of 4.50 D and 3.64 D, respectively. This is a driving force for their reactivity as exemplified by their reactions with different carbon functionalities. Icosahedral closo-1-SB11H11 reacts both with an electron sextet containing carbon (in the form of N-heterocyclic carbenes), reported earlier, and with methyl iodide with an electron octet on the carbon. The latter reaction provides hexamethylated thiaborane on the basis of methylation so far unknown in this area of heteroborane chemistry. The computations of the heat of formation (Delta H-f(298)) make it possible to estimate the height of the barrier as well as to propose closo-thiaboranes beyond the barrier. Eleven and twelve vertex thiaboranes with nido electron count are known experimentally for breaking the barrier. These computations also suggest that the larger nido-thiaboranes are promising candidates for the corresponding experimental availability, i. e., the Delta H-f(298) of a 13-vertex nido-thiaborane cluster has been computed to be more negative than that of the well-known nido-SB10H11- cluster (-6.7 and -5.6 kcal mol(-1) per vertex, respectively).
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
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/GA17-08045S" target="_blank" >GA17-08045S: Getting stronger together: exo-substituted heteroboranes and their adducts as suitable motifs for exploration of non-covalent interactions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemPlusChem
ISSN
2192-6506
e-ISSN
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Volume of the periodical
84
Issue of the periodical within the volume
7
Country of publishing house
DE - GERMANY
Number of pages
6
Pages from-to
822-827
UT code for WoS article
000477962500009
EID of the result in the Scopus database
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