Encapsulation and Dynamic Behavior of Methanol and Formaldehyde inside Open-Cage C 60 Derivatives

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....

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Bibliographic Details
Published inAngewandte Chemie International Edition Vol. 56; no. 10; pp. 2758 - 2762
Main Authors Futagoishi, Tsukasa, Murata, Michihisa, Wakamiya, Atsushi, Murata, Yasujiro
Format Journal Article
LanguageEnglish
Published Germany 01.03.2017
Subjects
X-ray crystallography
carbon nanomaterials
fullerenes
host-guest chemistry
open-cage C60
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Summary: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.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201611903