{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,17]],"date-time":"2026-01-17T04:58:16Z","timestamp":1768625896512,"version":"3.49.0"},"reference-count":45,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T00:00:00Z","timestamp":1759017600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T00:00:00Z","timestamp":1759017600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/100019599","name":"European Partnership on Metrology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100019599","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2026,1]]},"abstract":"<jats:p>\n                    Radiation\u2010induced processes in the aromatic cyano compound benzonitrile have attracted renewed interest since its detection in the interstellar medium in 2018, and recent studies have elucidated dissociative ionization pathways leading to species such as CN\n                    <jats:sup>\u2022<\/jats:sup>\n                    and HCN, which can play important roles in interstellar chemistry. This work explores negative ion formation from benzonitrile upon electron attachment with mass spectrometry experiments and the most extensive theoretical study to date of the underlying negative ion states and their respective dissociative relaxation pathways. The measurements confirm the previously reported CN\n                    <jats:sup>\u2212<\/jats:sup>\n                    formation at a collision energy of 3.0\u2009eV as well as formation of the dehydrogenated parent anion and phenyl anion and CN\n                    <jats:sup>\u2212<\/jats:sup>\n                    formation in the 7\u201310\u2009eV energy range. Threshold energies for these dissociation channels are reported at the G4(MP2) level of theory for the first time. Furthermore, by using both scattering calculations and bound state techniques, CN\n                    <jats:sup>\u2212<\/jats:sup>\n                    formation at around 3.0\u2009eV may proceed from a\n                    <jats:sup>2<\/jats:sup>\n                    B\n                    <jats:sub>1<\/jats:sub>\n                    , \u03c0\n                    <jats:sub>4<\/jats:sub>\n                    * shape resonance through nonadiabatic coupling with the \u03c3*, C\uf8ffCN state. In the 7\u201310\u2009eV range, complete active space plus second\u2010order perturbation (CASPT2) calculations suggest strong contributions from core excited \u03c0\n                    <jats:sub>4<\/jats:sub>\n                    * and \u03c3* resonances.\n                  <\/jats:p>","DOI":"10.1002\/cphc.202500206","type":"journal-article","created":{"date-parts":[[2025,9,29]],"date-time":"2025-09-29T00:24:17Z","timestamp":1759105457000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Revisiting CN\n                    <sup>\u2212<\/sup>\n                    Formation Mechanisms in Electron Collisions with Benzonitrile"],"prefix":"10.1002","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1172-4384","authenticated-orcid":false,"given":"Rodrigo","family":"Rodrigues","sequence":"first","affiliation":[{"name":"CEFITEC Departamento de F\u00edsica NOVA School of Science and Technology Universidade NOVA de Lisboa  Campus de Caparica 2829\u2010516 Caparica Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5266-8139","authenticated-orcid":false,"given":"M\u00f3nica","family":"Mendes","sequence":"additional","affiliation":[{"name":"CEFITEC Departamento de F\u00edsica NOVA School of Science and Technology Universidade NOVA de Lisboa  Campus de Caparica 2829\u2010516 Caparica Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-2918-0709","authenticated-orcid":false,"given":"Daniel","family":"Bou\u2010Debes","sequence":"additional","affiliation":[{"name":"School of Physical Sciences The Open University  Walton Hall Milton Keynes MK7 6AA UK"},{"name":"School of Life, Chemical, and Health Sciences The Open University  Walton Hall Milton Keynes MK7 6AA UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8648-9924","authenticated-orcid":false,"given":"Jo\u00e3o","family":"Ameixa","sequence":"additional","affiliation":[{"name":"CEFITEC Departamento de F\u00edsica NOVA School of Science and Technology Universidade NOVA de Lisboa  Campus de Caparica 2829\u2010516 Caparica Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0917-4520","authenticated-orcid":false,"given":"Ali","family":"Kamali","sequence":"additional","affiliation":[{"name":"Science Institute and Department of Chemistry University of Iceland  Dunhagi 3 Reykjavik IS\u2010107 Iceland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7100-9438","authenticated-orcid":false,"given":"Oddur","family":"Ing\u00f3lfsson","sequence":"additional","affiliation":[{"name":"Science Institute and Department of Chemistry University of Iceland  Dunhagi 3 Reykjavik IS\u2010107 Iceland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7065-6222","authenticated-orcid":false,"given":"Samuel","family":"Eden","sequence":"additional","affiliation":[{"name":"School of Physical Sciences The Open University  Walton Hall Milton Keynes MK7 6AA UK"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7597-8327","authenticated-orcid":false,"given":"Lucas M.","family":"Cornetta","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica, Universidade de S\u00e3o Paulo  Rua do Mat\u00e3o 1731 S\u00e3o Paulo 05508\u2010090 Brasil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2182-2965","authenticated-orcid":false,"given":"Filipe Ferreira","family":"da Silva","sequence":"additional","affiliation":[{"name":"CEFITEC Departamento de F\u00edsica NOVA School of Science and Technology Universidade NOVA de Lisboa  Campus de Caparica 2829\u2010516 Caparica Portugal"}]}],"member":"311","published-online":{"date-parts":[[2025,9,28]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.2174\/138527207781058745"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.201400940"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.dyepig.2016.03.004"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aao4890"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-astro-032620-021927"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361\/202449818"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.adq6391"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41550-024-02410-9"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.3847\/2041-8213\/adc911"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5c00570"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361\/201015186"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/0019-1035(81)90110-X"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP05574D"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1039\/D3FD00015J"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP03977C"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100198a017"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/0168-1176(86)80014-3"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202400287"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1039\/b714320f"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00197a014"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/ac00260a034"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100579a005"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2017.03.039"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP06484B"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.462209"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00532"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1021\/jasms.1c00057"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1684534"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1387-3806(00)00271-2"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1996)60:4<821::AID-QUA4>3.0.CO;2-Z"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674408"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2015-60192-6"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.439243"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.4811218"},{"key":"e_1_2_8_36_1","unstructured":"M. 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