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

Light molecules such as H₂O are the systems in which we can have access to quantum mechanical information on their constituent atoms. Here, we have investigated electron transport through H₂O@C₆₀ single molecule transistors (SMTs). The H₂O@C₆₀ SMTs exhibit Coulomb stability diagrams that show multiple tunneling-induced excited states below 30 meV. Furthermore, we have performed terahertz (THz) photocurrent spectroscopy on H₂O@C₆₀ SMTs and confirmed the same excitations. From comparison between experiment and theory, the excitations observed below 10 meV are identified to be the quantum rotational excitations of the water molecule. Surprisingly, the quantum rotational excitations of both para- and ortho-water molecule are observed simultaneously even for a single water molecule, indicating that the fluctuation between the ortho- and para-water states takes place in a time scale shorter than our measurement time (∼1 min), probably by the interaction between the encapsulated water molecule and conducting electrons.