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On-surface synthesis has paved the way towards the fabrication andcharacterization of conjugated carbon-based molecular materials that exhibit{\pi}-magnetism such as triangulenes. Aza-triangulene, a nitrogen-substitutedderivative, was recently shown to display rich on-surface chemistry, offeringan ideal platform to investigate structure-property relations regardingspin-selective charge transfer and magnetic fingerprints. Herein, we studyelectronic changes upon fusing single molecules into larger dimericderivatives. We show that the closed-shell structure of aza-triangulene onAg(111) leads to closed-shell dimers covalently coupled through stericallyaccessible carbon atoms. Meanwhile, its open-shell structure on Au(111) leadsto coupling via atoms displaying high spin density, resulting in symmetric orasymmetric dimer products. Interestingly, whereas all fused products on Au(111)exhibit similar charge transfer properties, only asymmetric dimers showmagnetic fingerprints. We rationalize this in terms of molecular bondingstructure and {\pi}-conjugation: in contrast to the symmetric and highlyconjugated dimer, asymmetric dimers display more localized orbitals, whichresult in a larger Coulomb repulsion and thus promote single electronoccupancies with associated spin density and {\pi}-magnetism. These resultsexpose a clear relationship between molecular symmetry, charge transfer, andspin states in {\pi}-conjugated carbon-based nanostructures.

Emergence of {\pi}-Magnetism in Fused Aza-Triangulenes: Symmetry and Charge Transfer Effects