Open‐cage fullerenes as tailor‐made container for a single water molecule

Abstract

Water is the most important liquid on earth. Clusters of water have been investigated extensively in an effort to understand the bulk property of water. But the behavior of single water molecule without H‐bond has been rarely studied. Open‐cage [60]fullerenes have been shown to trap a single water molecule selectively over molecules with comparable size and act as the smallest “water bottle”. Copyright © 2013 John Wiley & Sons, Ltd.

Punching a Carbon Atom of C60 into its Own Cavity to Form an Endohedral Complex CO@C59O6 under Mild Conditions

“…So the encapsulation of carbon monoxide has negligible effect on the cage bonds. The same phenomenon has been observed for fullerene complexes that encapsulate water 23…”

“…Thus, the magnitude of the shielding effect of the cage is comparable to that of water‐trapped analogues such as H 2 O@ 11 (Figure 1), which showed the trapped water signal at around −10 ppm 12. 16, 23, 25, 26 A minor signal that is due to the H 2 O@ 10 was also detected in the 1 H NMR spectrum at −9.68 ppm. The FTIR spectrum of the CO‐trapped compounds showed a single band in the range 2118 cm −1 (compound 5 ) to 2121 cm −1 (compound 10 ).…”

“…The same phenomenon has been observed for fullerene complexes that encapsulate water. [23] The 13 C NMR spectra of the CO-encapsulating compounds 5, 6, and 7 showed three carbonyl carbon atoms at (183 AE 1) ppm and another unique signal at around (173 AE 1) ppm. Compounds 8 and 10 without the addends on the skeleton showed the carbonyl carbon atoms in the range 182.4 to 185.8 ppm and another unique signal at around 176.0 ppm.…”

[60]Fullerene‐Based Macrocycle Ligands

“…Considerablep rogresses have been made in the preparation of open-cage fullerenes. [19] Several methods have been reported to cleave multiple C 60 skeleton bonds within al ocal area leadingt ol arge orifices. Formation of homofullerene and subsequent oxidation by singlet oxygen is the mostw idely used strategy.…”

Hydrolysis‐Initiated Domino Process on the Rim of Open‐Cage C60 Derivatives Including Decarbonylation and Double Dehydration

“…Open‐cage fullerenes can easily trap water inside their cavity if the orifice is large enough; this has been observed in a number of cases . The present open‐cage fullerenes showed less than 2 % water encapsulation after the normal workup procedure.…”