A Single‐Molecule Junction Based on a Covalent Organic Cage

M Miao Yang S Sai‐Sai Yan (State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China) B Baogui Huang (VR (Xiamen) Technology Co., Ltd Xiamen 361100 China) D Dong Xiang (Institute of Modern Optics, Center of Single-Molecule Sciences, Tianjin Key Laboratory of Micro-Scale Optical Information Science and Technology) Z Zhong‐Ning Chen (State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou China) L Li‐Chuan Chen (Institute of Modern Optics and Center of Single‐Molecule Science, Tianjin Key Laboratory of Micro‐scale Optical Information Science and Technology Nankai University Tianjin 300350 China) K Kongzhao Su (State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter) Q Qian‐Chong Zhang (State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China) D Daqiang Yuan (State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter)

Abstract

Abstract As the applications of molecular cages hinge on their properties, understanding the true nature of the cage structures is imperative. Single‐molecule conductance technique offered a unique opportunity to explore the property of an individual cage structure, yet the undefined cage‐electrode connection remains challenging. Herein, we designed a new single‐molecule junction based on covalent organic cages with sulfur atoms on the edges as defined anchor groups. Using scanning tunneling microscopy break junction method, the single‐molecule conductance was found at 10 −3.5 G ₀, indicating the formation of a stable junction by the cage. The investigation, combining control structures and theoretical studies, confirmed that the conductance signal originates from the connection between gold electrodes and sulfur atoms in adjacent benzothiadiazole groups. This well‐defined connection allowed us to analyze electron transport within the cage structure, providing new insights into the property investigation of functional cages.

Article Details

Volume / Issue Vol. 64, Issue 35
Published August 25, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (9)

M

Miao Yang

S

Sai‐Sai Yan

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China

B

Baogui Huang

VR (Xiamen) Technology Co., Ltd Xiamen 361100 China

D

Dong Xiang

Institute of Modern Optics, Center of Single-Molecule Sciences, Tianjin Key Laboratory of Micro-Scale Optical Information Science and Technology

Z

Zhong‐Ning Chen

State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou China

L

Li‐Chuan Chen

Institute of Modern Optics and Center of Single‐Molecule Science, Tianjin Key Laboratory of Micro‐scale Optical Information Science and Technology Nankai University Tianjin 300350 China

K

Kongzhao Su

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter

Q

Qian‐Chong Zhang

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China

D

Daqiang Yuan

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter