Central European Institute of Technology, CEITEC BUT, Purkyňova 656/123, 61200 Brno, Czech Republic.
Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 61669 Brno, Czech Republic.
Molecules. 2020 Oct 29;25(21):5021. doi: 10.3390/molecules25215021.
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 - 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.
研究表面上复杂分子的性质仍然是一个未被充分探索的研究领域，因为金属配合物的沉积存在许多陷阱。在这里，我们通过湿化学方法和高真空下的热升华，在化学气相沉积（CVD）生长的石墨烯上沉积具有查尔酮配体的 Co(II)配合物，来探究制备表面杂化物的可能性。利用高频电子自旋共振（HF-ESR）、X 射线光电子能谱（XPS）、拉曼光谱、原子力显微镜（AFM）和光学显微镜对样品进行了表征，并结合密度泛函理论（DFT）和完全活性空间自洽场（CASSCF）/N-电子价二阶微扰理论（NEVPT2）计算。该化合物的原理是其结构，具有几个芳香环用于弱结合，并可能有利于与石墨烯的 - 堆积。与预期相反，我们观察到滴铸样品在石墨烯上形成纳米液滴，而热升华后在晶界和缺陷处形成微晶。
