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