J 2020

Zwitterionic Ru(III) Complexes: Stability of Metal-Ligand Bond and Host-Guest Binding with Cucurbit[7]uril

MALALI, Sanaz, Jan CHYBA, Michal KNOR, Michal HORNÍ, Marek NEČAS et. al.

Basic information

Original name

Zwitterionic Ru(III) Complexes: Stability of Metal-Ligand Bond and Host-Guest Binding with Cucurbit[7]uril

Authors

MALALI, Sanaz (364 Islamic Republic of Iran, belonging to the institution), Jan CHYBA (203 Czech Republic, belonging to the institution), Michal KNOR (203 Czech Republic, belonging to the institution), Michal HORNÍ (203 Czech Republic, belonging to the institution), Marek NEČAS (203 Czech Republic, belonging to the institution), Jan NOVOTNÝ (203 Czech Republic, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution)

Edition

Inorganic Chemistry, American Chemical Society, 2020, 0020-1669

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10400 1.4 Chemical sciences

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

Impact factor

Impact factor: 5.165

RIV identification code

RIV/00216224:14740/20:00114221

Organization unit

Central European Institute of Technology

DOI

UT WoS

000552287100073

Keywords in English

ruthenium(III) compound;cucurbit[7]uril;host-guest complex;NMR spectroscopy;paramagnetic;hyperfine shift;spin-dipole contribution

Tags

Tags

International impact, Reviewed
Změněno: 14/10/2024 15:33, Ing. Marie Švancarová

Abstract

V originále

A wide range of ruthenium-based coordination compounds have been reported to possess potential as metallodrugs with anticancer or antimetastatic activity. In this work, we synthesized a set of new zwitterionic Ru(III) compounds bearing ligands derived from N-alkyl (R) systems based on pyridine, 4,4'-bipyridine, or 1,4-diazabicyclo[2.2.2]octane (DABCO). The effects of the ligand(s) and their environment on the coordination stability have been investigated. Whereas the [DABCO-R]+ ligand is shown to be easily split out of a negative [RuCl4]- core, positively charged R-pyridine and R-bipyridine ligands form somewhat more stable Ru(III) complexes and can be used as supramolecular anchors for binding with macrocycles. Therefore, supramolecular host-guest assemblies between the stable zwitterionic Ru(III) guests and the cucurbit[7]uril host were investigated and characterized in detail by using NMR spectroscopy and single-crystal X-ray diffraction. Paramagnetic 1H NMR experiments supplemented by relativistic DFT calculations of the structure and hyperfine NMR shifts were performed to determine the host-guest binding modes in solution. In contrast to the intramolecular hyperfine shifts, dominated by the through-bond Fermi-contact mechanism, supramolecular hyperfine shifts were shown to depend on the “through-space” spin-dipole contributions with structural trends being satisfactorily reproduced by a simple point-dipole approximation.

Links

GA18-05421S, research and development project
Name: Rozvoj paramagnetické NMR spektroskopie pro supramolekulární systémy (Acronym: SUPRAMAG)
Investor: Czech Science Foundation
LQ1601, research and development project
Name: CEITEC 2020 (Acronym: CEITEC2020)
Investor: Ministry of Education, Youth and Sports of the CR
90127, large research infrastructures
Name: CIISB II