Dynamic Regulation of Adaptive Butterfly‐Shaped Molecules via B←N Coordination
Abstract
Abstract Achieving dynamic control over stereostructures and electronic properties of rigid molecules remains a significant challenge due to the delicate balance between stability and flexibility. Here, the construction of butterfly‐shaped molecular junctions stabilized by moderate‐strength boron‐nitrogen (B←N) coordination between boraacenes and pyridines is reported. By leveraging the pivot‐like flexibility of B←N bonds, molecular conductance switching with on/off ratios exceeding 100 is achieved through force‐driven dynamic transitions between distinct stacking conformations. Single‐molecule electrical measurements combined with first‐principle calculations identify distinct charge transport mechanisms—through‐space and through‐bond—associated with the butterfly‐wing open and closed configurations. Furthermore, external factors like electric fields and substituent effects modulate π – π interactions and charge transport properties. The introduction of destructive quantum interference effects can be achieved by replacing molecular units. The findings demonstrate that B←N coordination serves as a dynamically tunable linkage, offering a pathway to design molecular platforms with multifunctional units, customized stereo‐conformations, and quantum effects.
Article Details
Authors (7)
Boyu Wang
Center of Single-Molecule Sciences, Institute of Modern Optics, Frontiers Science Center for New Organic Matter, Tianjin Key Laboratory of Micro-scale Optical Information Science and Technology, College of Electronic Information and Optical Engineering, Nankai University, 38 Tongyan Road, Jinnan District, Tianjin 300350, P. R. China
Yani Huo
Center of Single-Molecule Sciences, Institute of Modern Optics, Frontiers Science Center for New Organic Matter, Tianjin Key Laboratory of Micro-Scale Optical Information Science and Technology, College of Electronic Information and Optical Engineering, Nankai University, 38 Tongyan Road, Jinnan District, Tianjin 300350, P. R. China
Cheng Chen
Xiao‐Ye Wang
State Key Laboratory of Elemento‐Organic Chemistry Frontiers Science Center for New Organic Matter Haihe Laboratory of Sustainable Chemical Transformations College of Chemistry Nankai University Tianjin 300071 P.R. China
Chuancheng Jia
Center of Single-Molecule Sciences, Institute of Modern Optics, Frontiers Science Center for New Organic Matter, Tianjin Key Laboratory of Micro-scale Optical Information Science and Technology, College of Electronic Information and Optical Engineering, Nankai University, 38 Tongyan Road, Jinnan District, Tianjin 300350, P. R. China
Jinying Wang
Center of Single-Molecule Sciences, Institute of Modern Optics, Frontiers Science Center for New Organic Matter, Tianjin Key Laboratory of Micro-scale Optical Information Science and Technology, College of Electronic Information and Optical Engineering, Nankai University, 38 Tongyan Road, Jinnan District, Tianjin 300350, P. R. China
Xuefeng Guo
State Key Laboratory of Coordination Chemistry, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Jiangsu Key Laboratory of Clean Energy Catalysis and Intelligent Green Chemical Engineering, School of Chemistry and Chemical Engineering