Hurtado Carina Santos, Bastien Guillaume, Rončević Igor, Dračínský Martin, Tortorici Teddy, Rogers Charles T, Michl Josef, Kaleta Jiří
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, 160 00, Prague 6, Czech Republic.
Department of Chemistry, University of Oxford, Chemistry Research Laboratory, Oxford OX1 3TA, UK.
Chem Commun (Camb). 2024 Jan 23;60(8):960-963. doi: 10.1039/d3cc04559e.
Dielectric spectroscopy has been used to determine the barriers of rotation of surface-mounted fullerenes (2.3 ± 0.1 and 4.3 ± 0.1 kcal mol). In order to achieve this, a C derivative equipped with an anchoring group designed to form a surface inclusion with the hexagonal form of tris(-phenylenedioxy)cyclotriphosphazene (TPP) has been synthesized. Solid-state NMR analysis revealed that approximately 50% of the surface-mounted molecules have a chemical environment different from the others suggesting two distinct insertion modes. These observations correlate with results of DFT calculations.
介电谱已被用于确定表面安装富勒烯的旋转势垒（2.3±0.1千卡/摩尔和4.3±0.1千卡/摩尔）。为了实现这一点，合成了一种配备有锚定基团的C衍生物，该基团旨在与三聚（对苯二氧基）环三磷腈（TPP）的六边形形式形成表面包合物。固态核磁共振分析表明，大约50%的表面安装分子具有与其他分子不同的化学环境，这表明存在两种不同的插入模式。这些观察结果与密度泛函理论计算的结果相关。
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