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Herein, we have adopted a significant distance strategy for asymmetric pyrene Schiff bases (HPBC and 1HPBC) to disclose their concurrent fluorescence mechanisms. In DMSO, both molecules showed two competing ESIPT and C\u2550N photoisomerization processes at the E*-state, while K*-rotation is kinetically and thermodynamically unfavorable. In HPBC, the rigid dimeric Schiff base units endowed strong intramolecular H-bonding at the S1 state, which blocked the N\u2013N assisted rotation of the adjacent C\u2550N bond and suppressed the nonradiative E*-relaxation. Thus, ESIPT, as the dominant relaxation pathway, led to a comparatively emissive solution. The enhanced solid-state K*-emission is attributed to the thermodynamically more favorable ESIPT, restricted free rotations, and antiparallel stacking. Conversely, flexible 1HPBC, as a monomeric Schiff base, considerably lowered the energy barrier for nonradiative relaxation, thereby leading to more competitive ESIPT and C\u2550N rotation decay channels. On the basis of this computationally predicted fluorescence quenching mechanism of 1HPBC, it is proposed that the solid-state emission enhancement may occur through combined restricted intramolecular rotation and ESIPT processes, which requires experimental validation. Hence, it is found that simple structural modifications can efficiently tune the fluorescence mechanisms, providing a theoretical reference for the regulation of ESIPT-AIE systems.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c04302","type":"journal-article","created":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T16:02:45Z","timestamp":1791216165000},"page":"8082-8089","source":"Crossref","is-referenced-by-count":0,"title":["Unveiling the Effect\nof \u03c0-Chain on Competitive\nRadiative and Non-Radiative Decay in Pyrene-Based Schiff Bases: ESIPT-AIE\nFluorophores"],"prefix":"10.1021","volume":"130","author":[{"given":"Faiza","family":"Farooq","sequence":"first","affiliation":[{"name":"Shaanxi Normal University , , ,","place":["Xi\u2019an, P. R. China, 710119"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Weixu","family":"Li","sequence":"additional","affiliation":[{"name":"Nankai University , , ,","place":["Tianjin, P. R. China, 300071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ya","family":"Liu","sequence":"additional","affiliation":[{"name":"Shaanxi Normal University , , ,","place":["Xi\u2019an, P. R. China, 710119"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lan","family":"Cai","sequence":"additional","affiliation":[{"name":"Shaanxi Normal University , , ,","place":["Xi\u2019an, P. R. China, 710119"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9462-701X","authenticated-orcid":true,"given":"Fengyi","family":"Liu","sequence":"additional","affiliation":[{"name":"Shaanxi Normal University , , ,","place":["Xi\u2019an, P. R. 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TD-DFT Study of The Excited State Intramolecular\nProton Transfer (ESIPT) Mechanism and Photophysical Properties in\nCoumarin\u2013Benzothiazole Derivatives: Substitution and Solvent\nEffects","volume":"8","author":"Roohi","year":"2023","journal-title":"Mol. Syst. Des. Eng."},{"issue":"3","key":"2026101508073569200_cit48","doi-asserted-by":"publisher","first-page":"1118","DOI":"10.1039\/D1TC04627F","article-title":"Controlling\nthe Excited-State Relaxation for Tunable Single-Molecule Dual Fluorescence\nin both The Solution and Film States","volume":"10","author":"Wang","year":"2022","journal-title":"J. Mater.\nChem. C"},{"key":"2026101508073569200_cit49","doi-asserted-by":"publisher","first-page":"114769","DOI":"10.1016\/j.jphotochem.2023.114769","article-title":"Insights into the\nPhoto- and Thermal Induced Intramolecular Processes of 2-(hydroxyphenyl)benzoxazoles:\nExperimental and Theoretical Aspects","volume":"442","author":"Vetrova","year":"2023","journal-title":"J. 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