Beyond Excimer: Engineering Pyrene Stacking With Mechanical Bonds for Tunable Emissions
Abstract
ABSTRACT Aiming to deepen the fundamental understanding of how hierarchical molecular packing governs the overall photophysical properties in multi‐chromophore systems, engineering pyrene stacking with mechanical bonds has been successfully realized, leading to the construction of a novel family of pyrene‐functionalized [1]rotaxanes, particularly ones with tunable triple‐layered pyrene stacking. The precisely controlled pyrene excimer conformations in these structures enable adjustable photophysical behaviors, particularly in circularly polarized luminescence (CPL), including tunable luminescence dissymmetry factors ( g lum ), invertible handedness, and programmable emission wavelengths. Notably, introducing a third pyrene unit into tris‐pyrene‐functionalized [1]rotaxanes further modulates CPL properties through synergistic or antagonistic interactions, as further confirmed by time‐dependent density functional theory (TD‐DFT) simulations, revealing a previously unobserved stacking effect. This correlation between spatial stacking and photophysical response not only provides more in‐depth fundamental insights for pyrene excimer emissions but also offers critical design principles for developing advanced chiral luminescent materials.
Article Details
Authors (13)
Wei‐Tao Xu
School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Rui‐Hua Zhang
Shanghai Key Laboratory of Green Chemistry and Chemical Processes State Key Laboratory of Petroleum Molecular and Process Engineering School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Xue Li
Xiao‐Qin Xu
School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Chao Chen
Lin‐Tao Bao
Shanghai Key Laboratory of Green Chemistry and Chemical Processes State Key Laboratory of Petroleum Molecular and Process Engineering School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Zhen‐Yan Liu
Shanghai Key Laboratory of Green Chemistry and Chemical Processes State Key Laboratory of Petroleum Molecular and Process Engineering School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Xiao‐Hua Zhou
Shanghai Key Laboratory of Green Chemistry and Chemical Processes State Key Laboratory of Petroleum Molecular and Process Engineering School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Zhu Shu
Shanghai Key Laboratory of Green Chemistry and Chemical Processes State Key Laboratory of Petroleum Molecular and Process Engineering School of Chemistry and Molecular Engineering East China Normal University Shanghai China
Xueli Wang
State Key Laboratory of Precision Spectroscopy
Jinquan Chen
State Key Laboratory of Precision Spectroscopy
Hai‐Bo. Yang
Wuhu Hospital East China Normal University (The Second People's Hospital, Wuhu) Wuhu China
Wei Wang