Alpha shift correlation (ASC) method. Sensitivity of B-11 NMR shifts to halogen substitution in the ten-vertex nido and arachno series of boron clusters. Linear behavior of NMR effects

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F18%3A00483706" target="_blank" >RIV/61388980:_____/18:00483706 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.ica.2017.11.040" target="_blank" >http://dx.doi.org/10.1016/j.ica.2017.11.040</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2017.11.040" target="_blank" >10.1016/j.ica.2017.11.040</a>

Result language
angličtina
Original language name
Alpha shift correlation (ASC) method. Sensitivity of B-11 NMR shifts to halogen substitution in the ten-vertex nido and arachno series of boron clusters. Linear behavior of NMR effects
Original language description
ASC method is applied to all the known monohalogeno derivatives of the 10-vertex nido and arachno series, specifically to those of nido-B10H14 (1), nido-5,6-C2B8H12 (2), [nido-5,6-C2B8H11] (2), and arachno-6,9-C2B8H14 (3). This graphical method confirmed a simple linear correlation between the universal aref shifts and Delta delta(B-11) shifts induced in unsubstituted (u) (beta, gamma, and antipodal = A), positions of individual clusters: Delta delta(B-11) = k. alpha(ref) (where Delta delta= delta(s) - delta(p) and symbols s and p relate to the substituted and parent derivative, respectively, k = correlation slope). The g factor (g = gradient = k center dot 10(2)) then reflects the sensitivity of a given cage position to halogen changes at the substituted B-vertex. The linearity is likewise preserved for the substituted alpha-sites, but only for heavier halogens (Cl, Br, and I). Individual cluster types sharply differ in g values for specific cage positions. The sensitivity of B-11 NMR shifts to halogen changes is descending in the order: alpha >> over-mu > trans (T) > A > beta >= gamma for all the compounds investigated.
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/GA16-01618S" target="_blank" >GA16-01618S: Ten-vertex dicarbaborane molecular assemblies via alkylation</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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