Chemistry Letters, Vol.49, No.3, 244-247, 2020
A Single H2O Molecule inside Hydrophobic Carbon Nanocavities: Effect of Local Electrostatic Potential
We have studied the rotational dynamics and orientation of a single water molecule trapped inside carbon nanocavities based on fullerene C-60 possessing a hydrophobic potential surface. By modifying the hydrophobicity of the concave surface, the local electrostatic potential changed from positive to negative. The (HNMR)-H-1 analyses unveiled the anisotropic rotational behavior of the water molecule. Additionally, the fluctuation in the angular momentum of the water molecule was found to occur on a subpico-second time scale, indicating the vapor-like feature.