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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

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

2018

Kód důvěrnosti údajů

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

Název periodika

Inorganica chimica acta

ISSN

0020-1693

e-ISSN

—

Svazek periodika

471

Číslo periodika v rámci svazku

FEB

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

5

Strana od-do

615-619

Kód UT WoS článku

000419826000078

EID výsledku v databázi Scopus

2-s2.0-85037646135