An orifice design: water insertion into C₆₀

Abstract

The designed orifice substructure enabled the efficient conversion into H2O@C60via a four-step reaction process in 70% isolated yield with an occupation level exceeding 98%.

Inelastic Electron Transport and Ortho–Para Fluctuation of Water Molecule in H2O@C60 Single Molecule Transistors

“…Light molecules are the systems that consist of a rather small number of atoms and are promising platforms for quantum information processing − because we are able to access the quantum mechanical information on constituent atoms. The endohedral fullerenes, − which host various types of atoms and molecules in their cage structures, are particularly attractive, because they exhibit a variety of novel properties due to the presence of the encapsulated atom/molecule. Furthermore, the combination of the endohedral fullerene molecules and the single molecule transistor (SMT) geometry is very promising, because the source/drain electrodes of the SMTs can read out the electronic states of the encapsulated atoms/molecules. − …”

“…The H 2 O@C 60 molecule is very attractive for its potential to utilize the nuclear spin information on the encapsulated water molecule. , The H 2 O@C 60 molecule was successfully synthesized by the “molecular surgery” technique. ,,, This approach includes three steps, namely, (1) opening a hole on the surface of the fullerene cage, (2) injection of a single H 2 O molecule through the hole, and (3) closing the hole to retain the guest species. Details of the H 2 O@C 60 molecule synthesis can be found elsewhere .…”

Photochemical Orifice Expansion of a Cage-Opened C60 Derivative

“…The creation of an opening on fullerene cages had been a great topic of interest in the 1990s since cage-opened derivatives have been recognized as molecular containers that can realize the isolation of a single molecule from the bulk . So far, a number of derivatives with different orifice substructures have been synthesized, some of which encapsulate guest molecules such as He, H 2 , 3a, H 2 O, and HF . Notably, it has been elucidated that the isolated molecules show intriguing properties such as gas-like rotational behavior, enhanced reactivity of the outer cage, and magnetic interaction with nuclear and electron spins …”

π-Backbonding on Group 9 Metal Complexes Bearing an η2-(H2O@C60) Ligand

“…The IR vibrational modes of the CO ligand in 1 Co , 1 Rh , and 1 Ir were observed at ν 2012, 2019, and 2004 cm –1 , respectively (Figure S25). These reactions were well-reproducible even for H 2 O@C 60 , providing CpM­(CO)­(η 2 -H 2 O@C 60 ) (H 2 O@ 1 M ) (entries 7–9).…”