{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T09:11:18Z","timestamp":1760346678378,"version":"3.41.2"},"reference-count":48,"publisher":"AIP Publishing","issue":"13","funder":[{"DOI":"10.13039\/501100003329","name":"Ministerio de Econom\u00eda y Competitividad","doi-asserted-by":"publisher","award":["FIS2016-80440"],"award-info":[{"award-number":["FIS2016-80440"]}],"id":[{"id":"10.13039\/501100003329","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["IF\/00380\/2014","PD\/BD\/106038\/2015","RaBBiT, PD\/00193\/2010","SFRH\/BD\/52538\/2014","UID\/FIS\/00068\/2013","UID\/Multi\/ 04378\/2013"],"award-info":[{"award-number":["IF\/00380\/2014","PD\/BD\/106038\/2015","RaBBiT, PD\/00193\/2010","SFRH\/BD\/52538\/2014","UID\/FIS\/00068\/2013","UID\/Multi\/ 04378\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/J002577\/1","EP\/L002191\/1"],"award-info":[{"award-number":["EP\/J002577\/1","EP\/L002191\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2018,4,7]]},"abstract":"<jats:p>We report on a combined experimental and theoretical study of electron-transfer-induced decomposition of adenine (Ad) and a selection of analog molecules in collisions with potassium (K) atoms. Time-of-flight negative ion mass spectra have been obtained in a wide collision energy range (6\u201368 eV in the centre-of-mass frame), providing a comprehensive investigation of the fragmentation patterns of purine (Pu), adenine (Ad), 9-methyl adenine (9-mAd), 6-dimethyl adenine (6-dimAd), and 2-D adenine (2-DAd). Following our recent communication about selective hydrogen loss from the transient negative ions (TNIs) produced in these collisions [T. Cunha et al., J. Chem. Phys. 148, 021101 (2018)], this work focuses on the production of smaller fragment anions. In the low-energy part of the present range, several dissociation channels that are accessible in free electron attachment experiments are absent from the present mass spectra, notably NH2 loss from adenine and 9-methyl adenine. This can be understood in terms of a relatively long transit time of the K+ cation in the vicinity of the TNI tending to enhance the likelihood of intramolecular electron transfer. In this case, the excess energy can be redistributed through the available degrees of freedom inhibiting fragmentation pathways. Ab initio theoretical calculations were performed for 9-methyl adenine (9-mAd) and adenine (Ad) in the presence of a potassium atom and provided a strong basis for the assignment of the lowest unoccupied molecular orbitals accessed in the collision process.<\/jats:p>","DOI":"10.1063\/1.5021888","type":"journal-article","created":{"date-parts":[[2018,4,2]],"date-time":"2018-04-02T17:47:13Z","timestamp":1522691233000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":9,"title":["Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods"],"prefix":"10.1063","volume":"148","author":[{"given":"T.","family":"Cunha","sequence":"first","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa 1 , 2829-516 Caparica, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5266-8139","authenticated-orcid":false,"given":"M.","family":"Mendes","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa 1 , 2829-516 Caparica, Portugal"}]},{"given":"F.","family":"Ferreira da Silva","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa 1 , 2829-516 Caparica, Portugal"}]},{"given":"S.","family":"Eden","sequence":"additional","affiliation":[{"name":"School of Physical Sciences, The Open University 2 , Walton Hall, MK7 6AA Milton Keynes, United Kingdom"}]},{"given":"G.","family":"Garc\u00eda","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas (CSIC) 3 , Serrano 113-bis, 28006 Madrid, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0958-2380","authenticated-orcid":false,"given":"M.-C.","family":"Bacchus-Montabonel","sequence":"additional","affiliation":[{"name":"Institut Lumi\u00e9re Mati\u00e9re, Universit\u00e9 Lyon, Universit\u00e9 Claude Bernard Lyon 1 4 , CNRS, 69622 Villeurbanne, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2696-1152","authenticated-orcid":false,"given":"P.","family":"Lim\u00e3o-Vieira","sequence":"additional","affiliation":[{"name":"Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade NOVA de Lisboa 1 , 2829-516 Caparica, Portugal"}]}],"member":"317","published-online":{"date-parts":[[2018,4,2]]},"reference":[{"key":"2023061918140716300_c1","doi-asserted-by":"publisher","first-page":"1658","DOI":"10.1126\/science.287.5458.1658","volume":"287","year":"2000","journal-title":"Science"},{"key":"2023061918140716300_c2","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.physrep.2011.06.004","volume":"508","year":"2011","journal-title":"Phys. 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