Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: alpha-Shift Correlation Method

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: alpha-Shift Correlation Method

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Quantitative Assessment of Substitution NMR Effects in the Model Series of o-Carborane Derivatives: alpha-Shift Correlation Method

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA16-01618S" target="_blank" >GA16-01618S: Desetivrcholové dikarbaboranové molekulární útvary vytvořené alkylací</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

—

Svazek periodika

56

Číslo periodika v rámci svazku

14

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

8334-8340

Kód UT WoS článku

000405972200079

EID výsledku v databázi Scopus

2-s2.0-85024401735