Reactivity and Magnetic Coupling of Triangulene Dimers Linked via para-Biphenyl Units

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00619180" target="_blank" >RIV/68378271:_____/25:00619180 - isvavai.cz</a>

Result on the web

<a href="https://hdl.handle.net/11104/0365949" target="_blank" >https://hdl.handle.net/11104/0365949</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/anie.202501874" target="_blank" >10.1002/anie.202501874</a>

Result language

angličtina

Original language name

Reactivity and Magnetic Coupling of Triangulene Dimers Linked via para-Biphenyl Units

Original language description

Triangulene and its homologues are promising building blocks for high-spin low-dimensional networks with long-range magnetic order. Despite the recent progress in the synthesis and characterization of coupled triangulenes, key parameters such as the number of organic linking units or their dihedral angles remain scarce, making further studies crucial for an essential understanding of their implications. Here, we investigate the synthesis and reactivity of two triangulene dimers linked by two (Dimer 1) or one (Dimer 2) para-biphenyl units, respectively, on a metal surface in an ultra-high vacuum environment. First-principles calculations and model Hamiltonians reveal how spin excitation and radical character depend on the rotation of the para-biphenyl units. Comprehensive scanning tunneling microscopy (STM) in combination with density functional theory (DFT) calculations confirm the successful formation of Dimer 1 on Au(111). Non-contact atomic force microscopy (nc-AFM) measurements resolve the twisted conformation of the linking para-biphenyl units for Dimer 1. On the contrary, the inherent flexibility of Dimer 2 induces the planarization of the para-biphenyl, resulting in the spontaneous formation of two additional five-membered rings per dimer connected by a single C-C bond (Dimers 2'). Furthermore, scanning tunneling spectroscopy (STS) measurements confirm the antiferromagnetic (S=0) coupling of the observed dimers, underscoring the critical influence of dihedral angles and structural flexibility of the linking units in pi-electron magnetic nanostructures.

Czech name

—

Czech description

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Type

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

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

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

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

Angewandte Chemie - International Edition

ISSN

1433-7851

e-ISSN

1521-3773

Volume of the periodical

64

Issue of the periodical within the volume

17

Country of publishing house

DE - GERMANY

Number of pages

6

Pages from-to

e202501874

UT code for WoS article

001433752100001

EID of the result in the Scopus database

2-s2.0-105003114014