近日，中国科学院化学所车延科团队报道了一个三受体基序的硫键导向的圆形组件，提高单线态氧的产生。相关论文于2026年3月31日发表在《德国应用化学》杂志上。

研究组报道了一种三受体单元的给体-受体（D–A）分子，其设计特点是三个连续相连的受体，从而赋予了显著的构象柔性。这种构象柔性转化为不同的晶体堆积模式，进而产生截然不同的光敏效率。值得注意的是，通过分子间硫属键相互作用，六种不同构象体自组装形成了一种独特的环状结构，该结构经单晶X射线衍射明确证实。该环状组装体在固态下实现了高达80%的单线态氧量子产率，远高于其在溶液分散状态下的单体（62%）以及另一种非环状堆积的多晶型（该多晶型同时存在硫属键和受体基团之间的π-相互作用，产率仅为43%）。

这一增强源于独特的环状堆积模式，它增大了单重激发态（S1）与单重基态（S0）之间的能隙，从而促进系间窜越（ISC），同时抑制了由π–π堆积引起的淬灭。该策略的普适性通过一个含重原子的类似物得到进一步验证：在其硫属键导向的环状组装体（包含三种构象体）中，该类似物实现了同样高达84%的单线态氧量子产率，显著优于另一种同时具有硫属键和受体基团间π-相互作用但堆积为非环状的多晶型（45%）。这些发现为开发高性能晶态光敏剂建立了一种通用且可靠的方法。

附：英文原文

Title: A Triple-Acceptor Motif for Chalcogen-Bond-Directed Circular Assemblies that Enhance Singlet Oxygen Generation

Author: Xiaozhen Che, Lishan Sun, Chenglong Liao, Hongwei Ji, Yanjun Gong, Yanke Che, Jincai Zhao

Issue&Volume: 2026-03-31

Abstract: Herein, we report a triple-acceptor donor–acceptor (D–A) molecule designed with three consecutively linked acceptors to confer substantial conformational flexibility. This conformational flexibility translates into distinct crystalline packing modes, which yield strikingly different photosensitizing efficiencies. Notably, a unique crystal structure is formed by the self-assembly of six distinct conformers into a circular architecture via intermolecular chalcogen bonding, an arrangement unambiguously confirmed by single-crystal X-ray diffraction. The cyclic assembly delivers an impressive solid-state 1O2 quantum yield of 80%, a value far higher than that of the solution-dispersed monomer (62%) and a non-cyclically packed polymorph with both chalcogen bonds and π-interactions between A groups (43%). This enhancement stems from the unique circular packing motif that increases the energy mismatch between the singlet excited state (S1) and singlet ground state (S0) to facilitate intersystem crossing (ISC), while concurrently suppressing π–π stacking–induced quenching. The generality of this strategy is further demonstrated by a heavy-atom-containing analogue, which achieves a similarly high 1O2 quantum yield of 84% in its chalcogen-bond-directed circular assembly (comprising three conformers), markedly outperforming a counterpart polymorph (45%) with both chalcogen bonds and π-interactions between A groups and non-circular packing. These findings establish a versatile and robust approach for developing high-performance crystalline photosensitizers.

DOI: 10.1002/anie.6178676

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.6178676