Capturing the Rotation of One Molecular Crank by Single-Molecule Conductance.
Nano Lett
; 21(22): 9729-9735, 2021 11 24.
Article
em En
| MEDLINE
| ID: mdl-34761680
ABSTRACT
Unveiling the internal dynamics of rotation in molecular machine at single-molecule scale is still a challenge. In this work, three crank-shaped molecules are elaborately designed with the conformational flipping between syn and anti fulfilled by two naphthyl groups rotating freely along 1,3-butadiynyl axis. By investigating the single-molecule conductance using scanning tunnelling microscope break junction (STM-BJ) technique and theoretical simulation, the internal rotation of these crank-shaped molecules is well identified through low and high conductance corresponding to syn- and anti-conformations. As demonstrated by theoretically computational study, the orbital energy changes with the conformational flipping and influences the intraorbital quantum interference, thus eventually modulating the single-molecule conductance. This work demonstrates single-molecule conductance measurement to be a rational approach for characterizing the internal rotation of molecular machines.
Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Rotação
/
Nanotecnologia
/
Conformação Molecular
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article