Abstract
Studying the properties of complex molecules on surfaces is still mostly an unexplored research area because the deposition of the metal complexes has many pitfalls. Herein, we probed the possibility to produce surface hybrids by depositing a Co(II)-based complex with chalcone ligands on chemical vapor deposition (CVD)-grown graphene by a wet-chemistry approach and by thermal sublimation under high vacuum. Samples were characterized by high-frequency electron spin resonance (HF-ESR), XPS, Raman spectroscopy, atomic force microscopy (AFM), and optical microscopy, supported with density functional theory (DFT) and complete active space self-consistent field (CASSCF)/N-electron valence second-order perturbation theory (NEVPT2) calculations. This compound’s rationale is its structure, with several aromatic rings for weak binding and possible favorable π–π stacking onto graphene. In contrast to expectations, we observed the formation of nanodroplets on graphene for a drop-cast sample and microcrystallites localized at grain boundaries and defects after thermal sublimation.
Highlights
Three decades have already passed since the first description of the slow relaxation of magnetization in the polynuclear cluster [Mn12 O12 (O2 CCH3 )16 (H2 O)4 ] known as Mn12 [1,2,3], which started the whole new research field of molecular magnetism [4]
This paper reports on the synthesis, crystal structure, magnetic properties, and characterization of a new Co(II)-based complex with monodentate chalcone ligands and its deposition on graphene
The magnetic properties were determined from high-frequency electron spin resonance (HF-ESR) measurements and were found to be in fair agreement with complete active space self-consistent field (CASSCF)/NEVPT2 ab initio quantum chemical calculations
Summary
Three decades have already passed since the first description of the slow relaxation of magnetization in the polynuclear cluster [Mn12 O12 (O2 CCH3 ) (H2 O)4 ] known as Mn12 [1,2,3], which started the whole new research field of molecular magnetism [4] For integer spins and Ueff = |D| × S − 4 for non-integer spins, respectively, in axial symmetry This alone would imply that by increasing the number of magnetic centers, a better SMM would be obtained; there is a dependency of D ∝ S12 that stems from spin-orbit contributions to the. The second challenge is finding the way from bulk material to functional surfaces
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