{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T11:32:08Z","timestamp":1774351928633,"version":"3.50.1"},"reference-count":56,"publisher":"Royal Society of Chemistry (RSC)","issue":"28","license":[{"start":{"date-parts":[[2026,6,24]],"date-time":"2026-06-24T00:00:00Z","timestamp":1782259200000},"content-version":"am","delay-in-days":539,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100006761","name":"Universidade de Vigo","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006761","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":["UIDB\/00100\/2020"],"award-info":[{"award-number":["UIDB\/00100\/2020"]}],"id":[{"id":"10.13039\/501100001871","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":["UIDP\/00100\/2020"],"award-info":[{"award-number":["UIDP\/00100\/2020"]}],"id":[{"id":"10.13039\/501100001871","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":["IMS-LA\/P\/0056\/2020"],"award-info":[{"award-number":["IMS-LA\/P\/0056\/2020"]}],"id":[{"id":"10.13039\/501100001871","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":["2023.09286.CEECIND"],"award-info":[{"award-number":["2023.09286.CEECIND"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>This work aims at getting deeper insights into the relationship between electrostatics and nanostructure in ionic liquids (ILs).<\/jats:p>","DOI":"10.1039\/d5cp01061f","type":"journal-article","created":{"date-parts":[[2025,6,24]],"date-time":"2025-06-24T04:41:08Z","timestamp":1750740068000},"page":"14841-14850","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Rational design of halo-imidazolium-based ionic liquids: tailoring the charge distribution to mimic the structure of real charge inverted analogues"],"prefix":"10.1039","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3646-0899","authenticated-orcid":false,"given":"Lois","family":"Morandeira","sequence":"first","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Departamento de Engenharia Qu\u00edmica, Instituto Superior T\u00e9cnico, Universidade de Lisboa, 1049-001, Lisboa, Portugal"},{"name":"CINTECX, Department of Chemical Engineering, University of Vigo, 36310, Vigo, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9461-9493","authenticated-orcid":false,"given":"Tiago F. C.","family":"Cruz","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Departamento de Engenharia Qu\u00edmica, Instituto Superior T\u00e9cnico, Universidade de Lisboa, 1049-001, Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8406-8763","authenticated-orcid":false,"given":"Pedro T.","family":"Gomes","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Departamento de Engenharia Qu\u00edmica, Instituto Superior T\u00e9cnico, Universidade de Lisboa, 1049-001, Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4483-6294","authenticated-orcid":false,"given":"Jos\u00e9 N.","family":"Canongia Lopes","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Departamento de Engenharia Qu\u00edmica, Instituto Superior T\u00e9cnico, Universidade de Lisboa, 1049-001, Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2454-1795","authenticated-orcid":false,"given":"Karina","family":"Shimizu","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural, Departamento de Engenharia Qu\u00edmica, Instituto Superior T\u00e9cnico, Universidade de Lisboa, 1049-001, Lisboa, Portugal"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP01061F\/cit1\/1","first-page":"405","volume":"8","author":"Walden","year":"1914","journal-title":"Bull. Acad. Imp. Sci."},{"key":"D5CP01061F\/cit2\/1","doi-asserted-by":"crossref","first-page":"9580","DOI":"10.1021\/ie101441s","volume":"49","author":"Aparicio","year":"2010","journal-title":"Ind. Eng. Chem. Res."},{"key":"D5CP01061F\/cit3\/1","doi-asserted-by":"crossref","first-page":"831","DOI":"10.1038\/nature04451","volume":"439","author":"Earle","year":"2006","journal-title":"Nature"},{"key":"D5CP01061F\/cit4\/1","doi-asserted-by":"crossref","first-page":"1905","DOI":"10.1039\/b516961p","author":"MacFarlane","year":"2006","journal-title":"Chem. Commun."},{"key":"D5CP01061F\/cit5\/1","doi-asserted-by":"crossref","first-page":"3508","DOI":"10.1021\/cr1003248","volume":"111","author":"Hallett","year":"2011","journal-title":"Chem. Rev."},{"key":"D5CP01061F\/cit6\/1","doi-asserted-by":"crossref","first-page":"114484","DOI":"10.1016\/j.molliq.2020.114484","volume":"321","author":"Verma","year":"2021","journal-title":"J. Mol. Liq."},{"key":"D5CP01061F\/cit7\/1","doi-asserted-by":"crossref","first-page":"5812","DOI":"10.3390\/molecules25245812","volume":"25","author":"Tiago","year":"2020","journal-title":"Molecules"},{"key":"D5CP01061F\/cit8\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3389\/fchem.2020.598662","volume":"8","author":"Shukla","year":"2020","journal-title":"Front. Chem."},{"key":"D5CP01061F\/cit9\/1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1039\/B006677J","volume":"37","author":"Plechkova","year":"2008","journal-title":"Chem. Soc. Rev."},{"key":"D5CP01061F\/cit10\/1","doi-asserted-by":"crossref","first-page":"8116","DOI":"10.1039\/D0GC02387F","volume":"22","author":"Moshikur","year":"2020","journal-title":"Green Chem."},{"key":"D5CP01061F\/cit11\/1","doi-asserted-by":"crossref","first-page":"124772","DOI":"10.1016\/j.jclepro.2020.124772","volume":"284","author":"Khoo","year":"2021","journal-title":"J. Cleaner Prod."},{"key":"D5CP01061F\/cit12\/1","doi-asserted-by":"crossref","first-page":"4966","DOI":"10.1039\/c2cs35151j","volume":"41","author":"Freire","year":"2012","journal-title":"Chem. Soc. Rev."},{"key":"D5CP01061F\/cit13\/1","doi-asserted-by":"crossref","first-page":"5804","DOI":"10.1021\/acs.jpcc.9b00987","volume":"123","author":"Cruz","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"D5CP01061F\/cit14\/1","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1039\/C7FD00139H","volume":"206","author":"Cruz","year":"2018","journal-title":"Faraday Discuss."},{"key":"D5CP01061F\/cit15\/1","doi-asserted-by":"crossref","first-page":"964","DOI":"10.1021\/ic049214y","volume":"44","author":"Dinnebier","year":"2005","journal-title":"Inorg. Chem."},{"key":"D5CP01061F\/cit16\/1","doi-asserted-by":"crossref","first-page":"3855","DOI":"10.1021\/om9700122","volume":"16","author":"Dinnebier","year":"1997","journal-title":"Organometallics"},{"key":"D5CP01061F\/cit17\/1","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1016\/j.molstruc.2010.02.003","volume":"972","author":"Kempter","year":"2010","journal-title":"J. Mol. Struct."},{"key":"D5CP01061F\/cit18\/1","doi-asserted-by":"crossref","first-page":"154509","DOI":"10.1063\/1.2907332","volume":"128","author":"Raabe","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D5CP01061F\/cit19\/1","doi-asserted-by":"crossref","first-page":"11715","DOI":"10.1021\/jp1044755","volume":"114","author":"Umebayashi","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit20\/1","doi-asserted-by":"crossref","first-page":"4954","DOI":"10.1038\/s41467-023-40593-3","volume":"14","author":"Mallada","year":"2023","journal-title":"Nat. Commun."},{"key":"D5CP01061F\/cit21\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/qua.25286","volume":"117","author":"Wang","year":"2017","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP01061F\/cit22\/1","doi-asserted-by":"crossref","first-page":"9894","DOI":"10.1021\/jp903556q","volume":"113","author":"Shimizu","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit23\/1","doi-asserted-by":"crossref","first-page":"648","DOI":"10.1039\/f29807600648","volume":"76","author":"Vrbancich","year":"1980","journal-title":"J. Chem. Soc., Faraday Trans. 2"},{"key":"D5CP01061F\/cit24\/1","doi-asserted-by":"crossref","first-page":"421","DOI":"10.1016\/0009-2614(81)85228-1","volume":"78","author":"Battaglia","year":"1981","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01061F\/cit25\/1","doi-asserted-by":"crossref","first-page":"691","DOI":"10.1007\/s12551-018-0419-2","volume":"10","author":"Welton","year":"2018","journal-title":"Biophys. Rev."},{"key":"D5CP01061F\/cit26\/1","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1039\/C7FD00189D","volume":"206","author":"MacFarlane","year":"2018","journal-title":"Faraday Discuss."},{"key":"D5CP01061F\/cit27\/1","doi-asserted-by":"crossref","first-page":"3592","DOI":"10.1021\/jp9120468","volume":"114","author":"Shimizu","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit28\/1","doi-asserted-by":"crossref","first-page":"2038","DOI":"10.1021\/jp0362133","volume":"108","author":"Canongia Lopes","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit29\/1","doi-asserted-by":"crossref","first-page":"16893","DOI":"10.1021\/jp0476545","volume":"108","author":"Canongia Lopes","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit30\/1","doi-asserted-by":"crossref","first-page":"19586","DOI":"10.1021\/jp063901o","volume":"110","author":"Canongia Lopes","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit31\/1","doi-asserted-by":"crossref","first-page":"5039","DOI":"10.1021\/jp800281e","volume":"112","author":"Canongia Lopes","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit32\/1","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/jcc.540110311","volume":"11","author":"Breneman","year":"1990","journal-title":"J. Comput. Chem."},{"key":"D5CP01061F\/cit34\/1","doi-asserted-by":"crossref","first-page":"13077","DOI":"10.1021\/j100100a043","volume":"98","author":"Kaminski","year":"1994","journal-title":"J. Phys. Chem."},{"key":"D5CP01061F\/cit35\/1","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"Jorgensen","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01061F\/cit36\/1","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/S0166-1280(97)00237-6","volume":"424","author":"Jorgensen","year":"1998","journal-title":"THEOCHEM"},{"key":"D5CP01061F\/cit37\/1","doi-asserted-by":"crossref","first-page":"4118","DOI":"10.1021\/jp004071w","volume":"105","author":"Watkins","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01061F\/cit38\/1","doi-asserted-by":"crossref","first-page":"4827","DOI":"10.1021\/ja984106u","volume":"121","author":"Rizzo","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01061F\/cit39\/1","doi-asserted-by":"crossref","first-page":"8049","DOI":"10.1021\/jp981200o","volume":"102","author":"McDonald","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit40\/1","doi-asserted-by":"crossref","first-page":"1955","DOI":"10.1002\/(SICI)1096-987X(199712)18:16<1955::AID-JCC1>3.0.CO;2-L","volume":"18","author":"Damm","year":"1997","journal-title":"J. Comput. Chem."},{"key":"D5CP01061F\/cit41\/1","doi-asserted-by":"crossref","first-page":"6167","DOI":"10.1021\/acs.jctc.7b00645","volume":"13","author":"Bernardes","year":"2017","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01061F\/cit42\/1","doi-asserted-by":"crossref","first-page":"2157","DOI":"10.1002\/jcc.21224","volume":"30","author":"Mart\u00ednez","year":"2009","journal-title":"J. Comput. Chem."},{"key":"D5CP01061F\/cit43\/1","doi-asserted-by":"publisher","DOI":"10.5281\/zenodo.4701065","author":"Padua","year":"2021","unstructured":"A.Padua ,  K.Goloviznina  and  Z.Gong , agiliopadua\/fftool,  2021 :  XML force field files 10.5281\/zenodo.4701065"},{"key":"D5CP01061F\/cit45\/1","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","volume":"26","author":"Van Der Spoel","year":"2005","journal-title":"J. Comput. Chem."},{"key":"D5CP01061F\/cit46\/1","doi-asserted-by":"crossref","first-page":"100022","DOI":"10.1016\/j.jil.2022.100022","volume":"2","author":"Shimizu","year":"2022","journal-title":"J. Ionic Liq."},{"key":"D5CP01061F\/cit47\/1","doi-asserted-by":"crossref","first-page":"7159","DOI":"10.3390\/molecules26237159","volume":"26","author":"Rodrigues","year":"2021","journal-title":"Molecules"},{"key":"D5CP01061F\/cit48\/1","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1080\/08927022.2017.1396329","volume":"44","author":"Bernardes","year":"2018","journal-title":"Mol. Simul."},{"key":"D5CP01061F\/cit49\/1","doi-asserted-by":"crossref","first-page":"2007","DOI":"10.1021\/ci200217w","volume":"51","author":"Brehm","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"D5CP01061F\/cit50\/1","doi-asserted-by":"crossref","first-page":"753","DOI":"10.1002\/jcc.24735","volume":"38","author":"Bernardes","year":"2017","journal-title":"Comput. Chem."},{"key":"D5CP01061F\/cit51\/1","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1021\/jp409987d","volume":"118","author":"Shimizu","year":"2014","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit52\/1","doi-asserted-by":"crossref","first-page":"6885","DOI":"10.1021\/jp502968u","volume":"118","author":"Bernardes","year":"2014","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit53\/1","doi-asserted-by":"crossref","first-page":"23864","DOI":"10.1039\/C8CP03831G","volume":"20","author":"Ruivo","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01061F\/cit54\/1","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"D5CP01061F\/cit55\/1","doi-asserted-by":"crossref","first-page":"7382","DOI":"10.1021\/acs.jcim.3c01033","volume":"63","author":"Sk\u00e5nberg","year":"2023","journal-title":"J. Chem. Inf. Model."},{"key":"D5CP01061F\/cit56\/1","doi-asserted-by":"crossref","first-page":"16838","DOI":"10.1021\/jp108545z","volume":"114","author":"Annapureddy","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01061F\/cit57\/1","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1039\/B310162B","author":"Matsumoto","year":"2004","journal-title":"Dalton Trans."},{"key":"D5CP01061F\/cit58\/1","doi-asserted-by":"crossref","first-page":"10889","DOI":"10.1021\/jp406374a","volume":"117","author":"Rocha","year":"2013","journal-title":"J. Phys. Chem. B"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/CP\/D5CP01061F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,7,17]],"date-time":"2025-07-17T07:04:22Z","timestamp":1752735862000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=D5CP01061F"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":56,"journal-issue":{"issue":"28","published-print":{"date-parts":[[2025,7,17]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp01061f","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D5CP01061F\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP01061F\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP01061F\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP01061F\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP01061F\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP01061F\/v1\/review1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}