Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: alpha-Shift Correlation Method
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F17%3A00476708" target="_blank" >RIV/61388980:_____/17:00476708 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.inorgchem.7b01023" target="_blank" >http://dx.doi.org/10.1021/acs.inorgchem.7b01023</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.7b01023" target="_blank" >10.1021/acs.inorgchem.7b01023</a>
Alternative languages
Result language
angličtina
Original language name
Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: alpha-Shift Correlation Method
Original language description
The principles of a new alpha-shift correlation (ASC) NMR method are demonstrated on a model series of substituted derivatives of o-carborane for which reliable NMR data are available. This graphical method revealed an acceptable linear correlation between alpha(B-11) or alpha(C-13) shifts and those induced by substituents in unsubstituted (u) positions of the carborane cluster. The linearity holds for all nuclei involved in skeletal bonding: Delta delta(N)(u) = g x alpha (where N = B-11,, C-13, and H-1). The factor g (slope of the correlation line x 10(2)) becomes an important measure of sensitivity of a given cage position to substituent changes. The beta, gamma, and delta = A (= antipodal) shifts can be therefore derived from the alpha-shift, are linearly proportional, and reflect additive character in double substitution. The ASC method appears to be an important tool for quantitative assessment of substituent NMR effects in all exo-substituted boron-cluster systems.
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
Inorganic Chemistry
ISSN
0020-1669
e-ISSN
—
Volume of the periodical
56
Issue of the periodical within the volume
14
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
8334-8340
UT code for WoS article
000405972200079
EID of the result in the Scopus database
2-s2.0-85024401735