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Here, we investigate the triplet exciton dynamics of benzimidazole-based donor\u2212\u03c0\u2013acceptor (D\u2212\u03c0\u2013A) molecules with different acceptor groups (\u2212OH, \u2212NO2 and \u2212C(CN)2). The transient absorption spectroscopy reveals that nitro-substituted BVI-NO2 in DMSO exhibits obvious intersystem crossing (ISC, 863.4 ps) and triplet-state population (1.53 \u03bcs), which is different from the other two molecules. More interestingly, in aprotic solvents, the ISC times are prolonged (1154 ps in DMF, 1887 ps in trichloroethylene) with the decreasing polarity, while the triplet decay shortens to 1.268 and 0.453 \u03bcs. In contrast, in protic solvents (methanol and ethanol), ISC lifetimes significantly accelerated to 34.29 and 92.07 ps, accompanied by shortened triplet lifetimes (0.3053 and 0.3591 \u03bcs). Theoretical calculation demonstrates that nitro substitution enables a favorable S1(\u03c0, \u03c0) \u2192 T4(n, \u03c0*) transition, triggering the absence of the ISC channel in hydroxyl and malononitrile molecules. And protic hydrogen-bonding interactions induce intermolecular orbital mixing and create additional S1\u2013Tn transition channels, further enhancing ISC. These results establish nitro substitution as an effective heavy-atom-free strategy for triplet generation and highlight that proton-induced intermolecular interactions can modulate triplet yields in solvent-assisted doping systems.<\/jats:p>","DOI":"10.1021\/acs.jpclett.6c02116","type":"journal-article","created":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T14:35:59Z","timestamp":1785854159000},"page":"9308-9318","source":"Crossref","is-referenced-by-count":0,"title":["Modulating Heavy-Atom-Free\nTriplet-State Dynamics\nin Benzimidazole-Based D\u2212\u03c0\u2013A Molecules: Distinct\nRoles of Solvent Polarity and Protic Interactions"],"prefix":"10.1021","volume":"17","author":[{"given":"Yang","family":"Liu","sequence":"first","affiliation":[{"name":"Henan Normal University , , ,","place":["Xinxiang, P. R. China, 453007"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tiantian","family":"Guan","sequence":"additional","affiliation":[{"name":"Henan Normal University , , ,","place":["Xinxiang, P. R. China, 453007"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5554-5898","authenticated-orcid":true,"given":"Beidou","family":"Feng","sequence":"additional","affiliation":[{"name":"Henan Normal University , , ,","place":["Xinxiang, P. R. China, 453007"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lina","family":"Ding","sequence":"additional","affiliation":[{"name":"Henan Normal University , , ,","place":["Xinxiang, P. R. China, 453007"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chenhao","family":"Zheng","sequence":"additional","affiliation":[{"name":"Henan Normal University , , ,","place":["Xinxiang, P. R. 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