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B-11-NMR shielding effects in the closo borane series: sensitivity of shifts and their additivity

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F17%3A00482740" target="_blank" >RIV/61388980:_____/17:00482740 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1039/c7nj02689g" target="_blank" >http://dx.doi.org/10.1039/c7nj02689g</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/c7nj02689g" target="_blank" >10.1039/c7nj02689g</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    B-11-NMR shielding effects in the closo borane series: sensitivity of shifts and their additivity

  • Original language description

    An Alpha Shift Correlation (ASC) method is used to assess quantitatively NMR shielding effects in a series of halogen derivatives of closo-borane dianions, [X-m-BnHn-m](2-). There is a simple linear correlation between the universal alpha(ref) shifts and those induced by the substituent X in all positions of the closo borane cluster: Delta delta(B-11) = k.alpha(ref) (where Delta delta = delta(s) delta(p) and subscripts s and p denote the substituted and parent derivatives, respectively, k = correlation slope). The sensitivity of the chemical shift in a given cage position to X-changes is defined by the g factor (g = gradient = k x 10(2)). The ASC approach revealed that the alpha-deshielding effect in the monosubstituted anionic [X-BnHn-1](2-) series decreases in the order of n: 6 > 12 > 10 > 9, and is dependent on the cage type and electron density at the substituted vertex. The sensitivity (g) in individual cluster positions to substituent changes decreases in the order alpha >> A > b > gamma and is of approximately additive character. The most important feature of the unsubstituted sphere is the antipodal (A) effect showing a g-trend inversed to that observed at the substituted alpha-sites. Of interest are also the remarkable pseudo-A and trans-gamma shielding effects in the 9- and 10-vertex anionic series.

  • 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

    10402 - Inorganic and nuclear chemistry

Result continuities

  • 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)

Others

  • Publication year

    2017

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    New Journal of Chemistry

  • ISSN

    1144-0546

  • e-ISSN

  • Volume of the periodical

    41

  • Issue of the periodical within the volume

    23

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    5

  • Pages from-to

    14452-14456

  • UT code for WoS article

    000415839300054

  • EID of the result in the Scopus database

    2-s2.0-85034851776