{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T21:14:07Z","timestamp":1782854047330,"version":"3.54.5"},"reference-count":51,"publisher":"Royal Society of Chemistry (RSC)","issue":"33","license":[{"start":{"date-parts":[[2023,8,3]],"date-time":"2023-08-03T00:00:00Z","timestamp":1691020800000},"content-version":"vor","delay-in-days":214,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"DOI":"10.13039\/100014440","name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades","doi-asserted-by":"publisher","award":["PID2021-125207NB-C32"],"award-info":[{"award-number":["PID2021-125207NB-C32"]}],"id":[{"id":"10.13039\/100014440","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    Reaction of 1-methylboratabenzene, 9-methyl-9-borataanthracene and\n                    <jats:italic>cis<\/jats:italic>\n                    and\n                    <jats:italic>trans<\/jats:italic>\n                    diboratapentacene with CO\n                    <jats:sub>2<\/jats:sub>\n                    has been studied. The results predict the\n                    <jats:italic>anti\/syn<\/jats:italic>\n                    selectivity found experimentally in the\n                    <jats:italic>cis<\/jats:italic>\n                    - and\n                    <jats:italic>trans<\/jats:italic>\n                    -diboratapentacene reaction with CO\n                    <jats:sub>2<\/jats:sub>\n                    .\n                  <\/jats:p>","DOI":"10.1039\/d3cp02516k","type":"journal-article","created":{"date-parts":[[2023,8,3]],"date-time":"2023-08-03T11:41:29Z","timestamp":1691062889000},"page":"22512-22522","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO\n                    <sub>2<\/sub>"],"prefix":"10.1039","volume":"25","author":[{"given":"Maxime","family":"Ferrer","sequence":"first","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain"},{"name":"PhD Program in Theoretical Chemistry and Computational Modeling, Doctoral School, Universidad Aut\u00f3noma de Madrid, 28049 Madrid, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6876-6211","authenticated-orcid":false,"given":"Ibon","family":"Alkorta","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jos\u00e9","family":"Elguero","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica M\u00e9dica (CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Josep M.","family":"Oliva-Enrich","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica-F\u00edsica Blas Cabrera (CSIC), Serrano, 119, E-28006 Madrid, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D3CP02516K\/cit1\/1","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1007\/s40641-018-0104-3","volume":"4","author":"Keller","year":"2018","journal-title":"Curr. Clim. Change Rep."},{"key":"D3CP02516K\/cit2\/1","doi-asserted-by":"crossref","first-page":"11840","DOI":"10.1021\/acs.chemrev.6b00173","volume":"116","author":"Sanz-P\u00e9rez","year":"2016","journal-title":"Chem. Rev."},{"key":"D3CP02516K\/cit3\/1","doi-asserted-by":"crossref","first-page":"82","DOI":"10.1016\/j.coche.2016.03.002","volume":"12","author":"Darunte","year":"2016","journal-title":"Curr. Opin. Chem. Eng."},{"key":"D3CP02516K\/cit4\/1","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1021\/jacsau.1c00414","volume":"2","author":"Rim","year":"2022","journal-title":"JACS Au"},{"key":"D3CP02516K\/cit5\/1","doi-asserted-by":"crossref","first-page":"22551","DOI":"10.1021\/acs.iecr.9b02220","volume":"58","author":"Lee","year":"2019","journal-title":"Ind. Eng. Chem. Res."},{"key":"D3CP02516K\/cit6\/1","doi-asserted-by":"crossref","first-page":"436","DOI":"10.1016\/j.rser.2018.08.007","volume":"97","author":"Zhang","year":"2018","journal-title":"Renewable Sustainable Energy Rev."},{"key":"D3CP02516K\/cit7\/1","doi-asserted-by":"publisher","first-page":"89","DOI":"10.1016\/B978-0-12-819657-1.00004-9","volume-title":"Advances in Carbon Capture","author":"Farsi","year":"2020","unstructured":"M.Farsi and E.Soroush , in Advances in Carbon Capture , ed. M. R. Rahimpour , M. Farsi and M. A. Makarem , Woodhead Publishing , 2020 , pp. 89\u2013105 10.1016\/B978-0-12-819657-1.00004-9"},{"key":"D3CP02516K\/cit8\/1","doi-asserted-by":"crossref","first-page":"094503","DOI":"10.1063\/5.0038093","volume":"154","author":"Alizadeh","year":"2021","journal-title":"J. Chem. Phys."},{"key":"D3CP02516K\/cit9\/1","doi-asserted-by":"crossref","first-page":"e202100738","DOI":"10.1002\/ajoc.202100738","volume":"11","author":"Chen","year":"2022","journal-title":"Asian J. Org. Chem."},{"key":"D3CP02516K\/cit10\/1","doi-asserted-by":"publisher","first-page":"112","DOI":"10.1039\/B311350G","author":"Duong","year":"2004","journal-title":"Chem. Commun."},{"key":"D3CP02516K\/cit11\/1","doi-asserted-by":"crossref","first-page":"10604","DOI":"10.1002\/chem.201701444","volume":"23","author":"Alkorta","year":"2017","journal-title":"Chem. Eur. J."},{"key":"D3CP02516K\/cit12\/1","doi-asserted-by":"crossref","first-page":"e4323","DOI":"10.1002\/poc.4323","volume":"35","author":"Soroudi","year":"2022","journal-title":"J. Phys. Org. Chem."},{"key":"D3CP02516K\/cit13\/1","doi-asserted-by":"crossref","first-page":"8136","DOI":"10.1021\/acs.jpca.7b08393","volume":"121","author":"Del Bene","year":"2017","journal-title":"J. Phys. Chem. A"},{"key":"D3CP02516K\/cit14\/1","doi-asserted-by":"crossref","first-page":"10604","DOI":"10.1002\/chem.201701444","volume":"23","author":"Alkorta","year":"2017","journal-title":"Chem. \u2013 Eur. J."},{"key":"D3CP02516K\/cit15\/1","doi-asserted-by":"crossref","first-page":"13662","DOI":"10.1039\/D1CP00754H","volume":"23","author":"Anila","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3CP02516K\/cit16\/1","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1007\/7081_2015_167","volume-title":"Guanidines as Reagents and Catalysts II","author":"Santo","year":"2017","unstructured":"R. D. d E.Santo , R. M.Capit\u00e3o and E. R. P.Gonz\u00e1lez , in Guanidines as Reagents and Catalysts II , ed. P. Selig , Springer International Publishing , Cham , 2017 , pp. 27\u201374 10.1007\/7081_2015_167"},{"key":"D3CP02516K\/cit17\/1","doi-asserted-by":"crossref","first-page":"1042","DOI":"10.1002\/anie.201610916","volume":"56","author":"Seipp","year":"2017","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3CP02516K\/cit18\/1","doi-asserted-by":"crossref","first-page":"1840","DOI":"10.1021\/jacs.5b13116","volume":"138","author":"Bu\u00df","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D3CP02516K\/cit19\/1","doi-asserted-by":"crossref","first-page":"110","DOI":"10.3390\/inorganics6040110","volume":"6","author":"Alkorta","year":"2018","journal-title":"Inorganics"},{"key":"D3CP02516K\/cit20\/1","doi-asserted-by":"crossref","first-page":"3195","DOI":"10.1002\/cphc.201900905","volume":"20","author":"S\u00e1nchez-Sanz","year":"2019","journal-title":"Chem. Phys. Chem."},{"key":"D3CP02516K\/cit21\/1","doi-asserted-by":"crossref","first-page":"11183","DOI":"10.1021\/acs.jpclett.2c03145","volume":"13","author":"Musgrave Iii","year":"2022","journal-title":"J. Phys. Chem. Lett."},{"key":"D3CP02516K\/cit22\/1","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1007\/128_2012_377","volume":"334","author":"Ashley","year":"2012","journal-title":"Top. Curr. Chem."},{"key":"D3CP02516K\/cit23\/1","doi-asserted-by":"crossref","first-page":"6976","DOI":"10.1021\/acs.jpca.1c04787","volume":"125","author":"Ferrer","year":"2021","journal-title":"J. Phys. Chem. A"},{"key":"D3CP02516K\/cit24\/1","doi-asserted-by":"crossref","first-page":"25771","DOI":"10.1002\/anie.202112233","volume":"60","author":"Wang","year":"2021","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3CP02516K\/cit25\/1","doi-asserted-by":"crossref","first-page":"201","DOI":"10.3390\/catal12020201","volume":"12","author":"Pal","year":"2022","journal-title":"Catalysts"},{"key":"D3CP02516K\/cit26\/1","doi-asserted-by":"crossref","first-page":"1591","DOI":"10.1007\/s11224-023-02170-8","volume":"34","author":"Ferrer","year":"2023","journal-title":"Struct. Chem."},{"key":"D3CP02516K\/cit27\/1","doi-asserted-by":"crossref","first-page":"3845","DOI":"10.1039\/D2SC00894G","volume":"13","author":"Horton","year":"2022","journal-title":"Chem. Sci."},{"key":"D3CP02516K\/cit28\/1","doi-asserted-by":"crossref","first-page":"100026","DOI":"10.1016\/j.ccst.2021.100026","volume":"2","author":"Demir","year":"2022","journal-title":"Carbon Capture Sci. Technol."},{"key":"D3CP02516K\/cit29\/1","doi-asserted-by":"crossref","first-page":"5172","DOI":"10.1039\/D1QM00205H","volume":"5","author":"Choe","year":"2021","journal-title":"Mater. Chem. Front."},{"key":"D3CP02516K\/cit30\/1","doi-asserted-by":"crossref","first-page":"1289","DOI":"10.1021\/acs.jchemed.2c00922","volume":"100","author":"Benedetto","year":"2023","journal-title":"J. Chem. Educ."},{"key":"D3CP02516K\/cit31\/1","doi-asserted-by":"crossref","first-page":"2407","DOI":"10.1038\/s41598-023-29336-y","volume":"13","author":"Ferrer","year":"2023","journal-title":"Sci. Rep."},{"key":"D3CP02516K\/cit32\/1","doi-asserted-by":"crossref","first-page":"e202200204","DOI":"10.1002\/cphc.202200204","volume":"23","author":"Ferrer","year":"2022","journal-title":"Chem. Phys. Chem."},{"key":"D3CP02516K\/cit33\/1","doi-asserted-by":"crossref","first-page":"3592","DOI":"10.1039\/c001803a","volume":"46","author":"Lorbach","year":"2010","journal-title":"Chem. Commun."},{"key":"D3CP02516K\/cit34\/1","doi-asserted-by":"crossref","first-page":"5241","DOI":"10.1039\/D3SC90074F","volume":"14","author":"Berionni","year":"2023","journal-title":"Chem. Sci."},{"key":"D3CP02516K\/cit35\/1","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1021\/acsorginorgau.1c00023","volume":"2","author":"Cort\u00e9s","year":"2022","journal-title":"ACS Org. Inorg. Au"},{"key":"D3CP02516K\/cit36\/1","doi-asserted-by":"crossref","first-page":"11032","DOI":"10.1021\/jacs.7b06772","volume":"139","author":"Taylor","year":"2017","journal-title":"J. Am. Chem. Soc."},{"key":"D3CP02516K\/cit37\/1","doi-asserted-by":"crossref","first-page":"13526","DOI":"10.1039\/D1CC05173C","volume":"57","author":"Dietz","year":"2021","journal-title":"Chem. Commun."},{"key":"D3CP02516K\/cit38\/1","doi-asserted-by":"crossref","first-page":"2597","DOI":"10.1021\/acs.organomet.9b00310","volume":"38","author":"Ishikawa","year":"2019","journal-title":"Organometallics"},{"key":"D3CP02516K\/cit39\/1","doi-asserted-by":"crossref","first-page":"2028","DOI":"10.1021\/jacs.2c11494","volume":"145","author":"Barker","year":"2023","journal-title":"J. Am. Chem. Soc."},{"key":"D3CP02516K\/cit40\/1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"D3CP02516K\/cit41\/1","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3CP02516K\/cit42\/1","doi-asserted-by":"crossref","first-page":"6378","DOI":"10.1021\/jp810292n","volume":"113","author":"Marenich","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"D3CP02516K\/cit44\/1","author":"Bader","unstructured":"R. F. W.Bader , Atoms In Molecules: A Quantum Theory, Clarendon Pr., 1990"},{"key":"D3CP02516K\/cit45\/1","author":"Popelier","unstructured":"P. L. A.Popelier , Atoms In Molecules. An introduction, Prentice Hall, Harlow, England , 2000"},{"key":"D3CP02516K\/cit46\/1","author":"Keith","unstructured":"T. A.Keith , AIMAll, 19.10.12 Version (aim.tkgristmill.com)"},{"key":"D3CP02516K\/cit47\/1","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"D3CP02516K\/cit48\/1","unstructured":"Jmol: an open-source Java viewer for chemical structures in 3D. http:\/\/www.jmol.org\/"},{"key":"D3CP02516K\/cit49\/1","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S2052520616003954","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Crystallogr., Sect. B"},{"key":"D3CP02516K\/cit50\/1","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1021\/om00001a064","volume":"14","author":"Herberich","year":"1995","journal-title":"Organometallics"},{"key":"D3CP02516K\/cit51\/1","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1063\/1.1749604","volume":"3","author":"Eyring","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D3CP02516K\/cit52\/1","doi-asserted-by":"crossref","first-page":"6037","DOI":"10.1021\/ja972651+","volume":"120","author":"Lee","year":"1998","journal-title":"J. Am. Chem. Soc."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D3CP02516K","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,30]],"date-time":"2026-06-30T20:18:06Z","timestamp":1782850686000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/25\/33\/22512-22522\/801697"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":51,"journal-issue":{"issue":"33","published-print":{"date-parts":[[2023,8,23]]}},"URL":"https:\/\/doi.org\/10.1039\/d3cp02516k","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}