Flipping hosts in hyperfine fields of paramagnetic guests

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F23%3A00131273" target="_blank" >RIV/00216224:14740/23:00131273 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.xcrp.2023.101461" target="_blank" >http://dx.doi.org/10.1016/j.xcrp.2023.101461</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.xcrp.2023.101461" target="_blank" >10.1016/j.xcrp.2023.101461</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Flipping hosts in hyperfine fields of paramagnetic guests

Popis výsledku v původním jazyce

Nuclear magnetic resonance (NMR) spectroscopy of paramagnetic systems is an advancing field that contributes to characterization of the structure and magnetism of molecules, molecular assemblies, biomolecules, and materials. In this account, we utilize the hyperfine field intrinsic to ruthenium(III) coordination compounds to uncover details of their supramolecular host-guest binding with cyclodextrins. We interpret perturbations of the 1H NMR shifts of the host to suggest the binding mode of the interaction. We demonstrate how the size of the cyclodextrin cavity and the structural modification of the guest affect whether the binding occurs through a head or tail portal of the cyclodextrin and attempt to explain the observed differences in terms of molecular shapes and the charge-distribution complementarity between the host and guest. Paramagnetic NMR spectroscopy of host-guest systems is shown to be a useful tool for supramolecular and structural chemists investigating modes of molecular encapsulation.

Název v anglickém jazyce

Flipping hosts in hyperfine fields of paramagnetic guests

Popis výsledku anglicky

Nuclear magnetic resonance (NMR) spectroscopy of paramagnetic systems is an advancing field that contributes to characterization of the structure and magnetism of molecules, molecular assemblies, biomolecules, and materials. In this account, we utilize the hyperfine field intrinsic to ruthenium(III) coordination compounds to uncover details of their supramolecular host-guest binding with cyclodextrins. We interpret perturbations of the 1H NMR shifts of the host to suggest the binding mode of the interaction. We demonstrate how the size of the cyclodextrin cavity and the structural modification of the guest affect whether the binding occurs through a head or tail portal of the cyclodextrin and attempt to explain the observed differences in terms of molecular shapes and the charge-distribution complementarity between the host and guest. Paramagnetic NMR spectroscopy of host-guest systems is shown to be a useful tool for supramolecular and structural chemists investigating modes of molecular encapsulation.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10400 - Chemical sciences

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Cell Reports Physical Science

ISSN

2666-3864

e-ISSN

2666-3864

Svazek periodika

4

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

15

Strana od-do

101461

Kód UT WoS článku

001047005700001

EID výsledku v databázi Scopus

2-s2.0-85165066345