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The understanding of thedynamics of their fragmentation induced by ionizing sources is of fundamental interest. The goal of this work is to theoretically investigate the <jats:italic>kinetic competition<\/jats:italic> between the two most important decomposition channels of 2, 4 and 5\u2010Nitroimidazole cations: the NO and NO<jats:sub>2<\/jats:sub> losses. The calculated rate constants of the two processes are in very good agreement with the experimental Photoelectron\u2010Photoion Coincidence (PEPICO) branching ratio. This study solves the intriguing and theoretically unexplained experimental observation that 2\u2010Nitroimidazole, at variance with the other two regio\u2010isomers is a source for only NO at low energies (&lt;12.76\u2005eV). This is a key point for biomedical application of the nitroimidazoles, because NO is the vasodilator that favors the reoxigenation of hypoxic tumor tissues.<\/jats:p>","DOI":"10.1002\/cphc.202100629","type":"journal-article","created":{"date-parts":[[2021,10,1]],"date-time":"2021-10-01T14:38:37Z","timestamp":1633099117000},"page":"2387-2391","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Ionization of 2\u2010 and 4(5)\u2010Nitroimidazoles Radiosensitizers: A <i>\u201cKinetic Competition\u201d<\/i> Between NO<sub>2<\/sub> and NO Losses"],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5795-4700","authenticated-orcid":false,"given":"Mauro","family":"Satta","sequence":"first","affiliation":[{"name":"Istituto per lo Studio dei Materiali Nanostrutturati (ISMN-CNR) Dipartimento di Chimica Universit\u00e0 degli studi di Roma La Sapienza  P.le Aldo Moro 5 00185 Roma 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