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oai:figshare.com:article/34028761 2026-09-30T03:06:41Z category_1 category_4 category_915 category_7 category_14 category_21 category_873 portal_63 item_type_6 month_year_09_2026

Coordination-Driven Strategy to Access Dual-State Emissive Helically Twisted bis-Zn(II) Complexes of Dipyrroethene-Based Ligands Debasish Mandal (841884) Mangalampalli Ravikanth (1559524) Biophysics Biochemistry Physical Sciences not elsewhere classified Medicine Molecular Biology Biotechnology Chemical Sciences not elsewhere classified state relaxation processes state luminescence materials ray crystallographic studies pronounced conformational rigidification promising building blocks optimum reaction conditions oac )< sub density functional theory >- functionalized (< external aggregation effects exhibit strong fluorescence based ligands herein 2 </ sub good quantum yields photofunctional coordination architectures metal coordination induces aie )- active work establishes zn good yields active ligands treating aggregation α </ e </ solid states regulate excited novel class induced locking induced emission including tetraphenylethylene driven strategy discrete double detailed photophysical conventional aiegens comprehensive x analysis revealed Herein, we present a coordination-driven strategy to access a novel class of dual-state emissive helically twisted bis-Zn(II) complexes in good yields by treating aggregation-induced emission (AIE)-active <i>α</i>-functionalized (<i>E</i>)-5,6-ditolyldipyrroethene ligands with Zn(OAc)₂ under optimum reaction conditions. Comprehensive X-ray crystallographic studies in combination with detailed photophysical and density functional theory (DFT) analysis revealed a very interesting structure–property relationship. The complexes exhibit a discrete double-stranded dimeric tetrahedral bis-Zn(II) architecture in which metal coordination induces a pronounced conformational rigidification of the AIE-active ligands. While conventional AIEgens, including tetraphenylethylene (TPE) or 5,6-ditolyldipyrroethene (DPE), depend primarily on external aggregation effects, the present strategy utilizes intrinsic coordination-induced locking with reduced π···π stacking to regulate excited-state relaxation processes. As a result, the complexes suppress nonradiative decay and exhibit strong fluorescence in both solution and solid states with good quantum yields. This work establishes Zn(II) coordination-induced helically twisted architecture as an effective molecular design strategy to access dual-state luminescence materials and highlights <i>α</i>-functionalized dipyrroethene ligands as promising building blocks for photofunctional coordination architectures. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.inorgchem.6c03524.s001 https://figshare.com/articles/journal_contribution/Coordination-Driven_Strategy_to_Access_Dual-State_Emissive_Helically_Twisted_bis-Zn_II_Complexes_of_Dipyrroethene-Based_Ligands/34028761 CC BY-NC 4.0