Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
Angew Chem Int Ed Engl. 2017 Mar 1;56(10):2758-2762. doi: 10.1002/anie.201611903. Epub 2017 Jan 31.
Methanol (CH OH) and formaldehyde (H CO) molecules were inserted into an open-cage C derivative with a large opening, under high-pressure and high-temperature conditions in solution. Isolation of their molecular complexes in pure form was achieved by the use of recycling HPLC with Buckyprep columns. H NMR spectroscopy, single-crystal X-ray diffraction studies, and DFT calculations revealed the orientation of the encapsulated CH OH and H CO, both in solution and in the solid state, and the results show that the CH group of the CH OH and the carbonyl group of the H CO point to the bottom of the cages. Furthermore, the dynamic behavior of the CH OH and H CO were studied at the molecular level.
甲醇 (CH3OH) 和甲醛 (H2CO) 分子在溶液中于高压高温条件下被插入具有大开口的笼状 C 衍生物中。通过使用带有 Buckyprep 柱的循环高效液相色谱法，可以将它们的分子配合物以纯形式分离出来。1H NMR 光谱、单晶 X 射线衍射研究和 DFT 计算揭示了在溶液中和固态中包裹的 CH3OH 和 H2CO 的取向，结果表明 CH3OH 的 CH 基团和 H2CO 的羰基基团指向笼的底部。此外，还在分子水平上研究了 CH3OH 和 H2CO 的动态行为。
