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The molecule exhibits a unique combination of low-energy electron-induced mechanisms potentially relevant to synergistic effects in concurrent chemo-radiation cancer therapy. Our calculations reveal two bound states (\u03c01* and \u03c02*), three shape resonances (\u03c03*, \u03c3CCl1*, and \u03c3CCl2*), and a \u03c04* resonance of mixed shape and core-excited character. We attribute the intense fragmentation, [M\u2013NO]\u2212 and [M\u2013NO2]\u2212, and the parent anion state at 0 eV mainly to the \u03c03* state, characterized as either a weakly bound state or a resonance slightly above threshold. While such processes could in principle occur via vibrational Feshbach resonances, the \u03c02* state is too deeply bound (at least by 0.71 eV) to enable this mechanism. The complex fragmentation induced by nearly zero energy electrons would instead arise from nonadiabatic interactions between the \u03c03* state and the lower-lying bound states \u03c01* and \u03c02*. This coupling between bound anion states and a low-energy resonance creates pathways for internal conversion and dissociation and could be viewed as a target property for radiosensitization.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c00754","type":"journal-article","created":{"date-parts":[[2026,8,10]],"date-time":"2026-08-10T13:02:09Z","timestamp":1786366929000},"page":"6518-6527","source":"Crossref","is-referenced-by-count":0,"title":["Anion States and\nDissociation Pathways of the Universal\nRadiosensitizer Model 2,4-Dichloro-5-nitropyrimidine"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8237-1670","authenticated-orcid":true,"given":"Ely G. 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Varella","sequence":"additional","affiliation":[{"name":"Universidade de Sa\u0303o Paulo , , Rua do Mata\u0303o 1371 , , ,","place":["Sa\u0303o Paulo, Sa\u0303o Paulo, Brazil, 05508-090"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,10]]},"reference":[{"key":"2026082007215676900_cit1","doi-asserted-by":"publisher","first-page":"125","DOI":"10.1080\/0144235X.2018.1461347","article-title":"Interconnections between dissociative\nelectron attachment and electron-driven biological processes","volume":"37","author":"Pshenichnyuk","year":"2018","journal-title":"Int. Rev. Phys. Chem."},{"key":"2026082007215676900_cit2","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.physrep.2011.06.004","article-title":"Electron-induced damage of DNA and\nits components:\nExperiments and theoretical models","volume":"508","author":"Baccarelli","year":"2011","journal-title":"Phys. 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