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Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73603247" target="_blank" >RIV/61989592:15310/20:73603247 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216208:11310/20:10410669 RIV/00216305:26620/20:PU136394

  • Result on the web

    <a href="https://pubs.rsc.org/en/content/articlehtml/2020/dt/d0dt00166j" target="_blank" >https://pubs.rsc.org/en/content/articlehtml/2020/dt/d0dt00166j</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/d0dt00166j" target="_blank" >10.1039/d0dt00166j</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Structural, magnetic, redox and theoretical characterization of seven-coordinate first-row transition metal complexes with a macrocyclic ligand containing two benzimidazolyl N-pendant arms

  • Original language description

    A structurally new heptadentate derivative of a 15-membered pyridine-based macrocycle containing two benzimidazol-2-yl-methyl N-pendant arms (L = 3,12-bis((1H-benzimidazol-2-yl)methyl)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene) was synthesized and its complexes with the general formula [M(L)](ClO4)(2)center dot 1.5CH(3)NO(2) (M = Mn-II (1), Fe-II (2), Co-II (3) and Ni-II (4)) were thoroughly investigated. X-ray crystal structures confirmed that all complexes are seven-coordinate with axially compressed pentagonal bipyramidal geometry having the largest distortion for Ni-II complex 4. Fe-II, Co-II and Ni-II complexes 2, 3 and 4 show rather large magnetic anisotropy manifested by moderate to high obtained values of the axial zero-field splitting parameter D (7.9, 40.3, and -17.2 cm(-1), respectively). Magneto-structural correlation of the Fe-II, Co-II and Ni-II complexes with L and with previously studied structurally similar ligands revealed a significant impact of the functional group in pendant arms on the magnetic anisotropy especially that of the Co-II and Ni-II complexes and some recommendations concerning the ligand-field design important for anisotropy tuning in future. Furthermore, complex 3 showed field-induced single-molecule magnet behavior described with the Raman (C = 507 K-n s(-1) for n = 2.58) relaxation process. The magnetic properties of the studied complexes were supported by theoretical calculations, which very well correspond with the experimental data of magnetic anisotropy. Electrochemical measurements revealed high positive redox potentials for M3+/2+ couples and high negative redox potentials for M2+/+ couples, which indicate the stabilization of the oxidation state +II expected for the sigma-donor/pi-acceptor ability of benzimidazole functional groups.

  • 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

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

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

Others

  • Publication year

    2020

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Dalton Transactions

  • ISSN

    1477-9226

  • e-ISSN

  • Volume of the periodical

    49

  • Issue of the periodical within the volume

    14

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    16

  • Pages from-to

    4425-4440

  • UT code for WoS article

    000526110700024

  • EID of the result in the Scopus database

    2-s2.0-85081614255