Tetracoordinate Co(<sc>ii</sc>) complexes with semi-coordination as stable single-ion magnets for deposition on graphene

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F23%3APU150528" target="_blank" >RIV/00216305:26620/23:PU150528 - isvavai.cz</a>

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp01426f" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp01426f</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d3cp01426f" target="_blank" >10.1039/d3cp01426f</a>

Result language

angličtina

Original language name

Tetracoordinate Co(<sc>ii</sc>) complexes with semi-coordination as stable single-ion magnets for deposition on graphene

Original language description

We present a theoretical and experimental study of two tetracoordinate Co(ii)-based complexes with semi-coordination interactions, i.e., non-covalent interactions involving the central atom. We argue that such interactions enhance the thermal and structural stability of the compounds, making them appropriate for deposition on substrates, as demonstrated by their successful deposition on graphene. DC magnetometry and high-frequency electron spin resonance (HF-ESR) experiments revealed an axial magnetic anisotropy and weak intermolecular antiferromagnetic coupling in both compounds, supported by theoretical predictions from complete active space self-consistent field calculations complemented by N-electron valence state second-order perturbation theory (CASSCF-NEVPT2), and broken-symmetry density functional theory (BS-DFT). AC magnetometry demonstrated that the compounds are field-induced single-ion magnets (SIMs) at applied static magnetic fields, with slow relaxation of magnetization governed by a combination of quantum tunneling, Orbach, and direct relaxation mechanisms. The structural stability under ambient conditions and after deposition was confirmed by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Theoretical modeling by DFT of different configurations of these systems on graphene revealed n-type doping of graphene originating from electron transfer from the deposited molecules, confirmed by electrical transport measurements and Raman spectroscopy.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project

<a href="/en/project/LTAUSA19060" target="_blank" >LTAUSA19060: Spectroscopy of Single-Molecule Magnets Using Graphene-Based Bolometers</a><br>

Continuities

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

Publication year

2023

Confidentiality

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

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Volume of the periodical

25

Issue of the periodical within the volume

43

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

29516-29530

UT code for WoS article

001094068300001

EID of the result in the Scopus database

2-s2.0-85175583167