{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T22:06:39Z","timestamp":1787004399663,"version":"build-2736575974"},"reference-count":48,"publisher":"Royal Society of Chemistry (RSC)","issue":"4","license":[{"start":{"date-parts":[[2025,1,28]],"date-time":"2025-01-28T00:00:00Z","timestamp":1738022400000},"content-version":"vor","delay-in-days":27,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["RSC Adv."],"abstract":"<jats:p>\n                    DFT calculations were performed to investigate the possible reaction mechanisms underlying catalyst-free chloroboration reactions of carbonyl compounds with BCl\n                    <jats:sub>3<\/jats:sub>\n                    .\n                  <\/jats:p>","DOI":"10.1039\/d4ra06893a","type":"journal-article","created":{"date-parts":[[2025,1,28]],"date-time":"2025-01-28T04:30:52Z","timestamp":1738038652000},"page":"2862-2873","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Computational study on catalyst-free BCl\n                    <sub>3<\/sub>\n                    -promoted chloroboration of carbonyl compounds"],"prefix":"10.1039","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-8347-916X","authenticated-orcid":false,"given":"Abera Tadie","family":"Derese","sequence":"first","affiliation":[{"name":"Department of Chemistry, Debre Tabor University, Ethiopia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2193-3611","authenticated-orcid":false,"given":"Mengistu Gemech","family":"Menkir","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Bahir Dar University, Ethiopia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mihret Kendie","family":"Wolie","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Debark University, Ethiopia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Desalegn Addis","family":"Yemam","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Debre Tabor University, Ethiopia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"issue":"21","key":"D4RA06893A\/cit1\/1","doi-asserted-by":"crossref","first-page":"6695","DOI":"10.1021\/acs.orglett.8b02775","volume":"20","author":"Tamang","year":"2018","journal-title":"Org. Lett."},{"issue":"17","key":"D4RA06893A\/cit2\/1","doi-asserted-by":"crossref","first-page":"10677","DOI":"10.1021\/acs.joc.8b01495","volume":"83","author":"Zhu","year":"2018","journal-title":"J. Org. Chem."},{"issue":"16","key":"D4RA06893A\/cit3\/1","doi-asserted-by":"crossref","first-page":"9442","DOI":"10.1021\/acs.joc.8b01094","volume":"83","author":"Wu","year":"2018","journal-title":"J. Org. Chem."},{"issue":"50","key":"D4RA06893A\/cit4\/1","doi-asserted-by":"crossref","first-page":"6843","DOI":"10.1039\/C8CC02314J","volume":"54","author":"Bisai","year":"2018","journal-title":"Chem. Commun."},{"issue":"2","key":"D4RA06893A\/cit5\/1","doi-asserted-by":"crossref","first-page":"1076","DOI":"10.1021\/acscatal.7b03785","volume":"8","author":"Das","year":"2018","journal-title":"ACS Catal."},{"issue":"1","key":"D4RA06893A\/cit6\/1","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/acs.joc.7b02076","volume":"83","author":"Wang","year":"2018","journal-title":"J. Org. Chem."},{"issue":"78","key":"D4RA06893A\/cit7\/1","doi-asserted-by":"crossref","first-page":"11001","DOI":"10.1039\/C8CC05030A","volume":"54","author":"Ghatak","year":"2018","journal-title":"Chem. Commun."},{"issue":"57","key":"D4RA06893A\/cit8\/1","doi-asserted-by":"crossref","first-page":"15201","DOI":"10.1002\/chem.201803508","volume":"24","author":"Ould","year":"2018","journal-title":"Chem.\u2013Eur. J."},{"issue":"21","key":"D4RA06893A\/cit9\/1","doi-asserted-by":"crossref","first-page":"5694","DOI":"10.1021\/ja01602a063","volume":"78","author":"Brown","year":"1956","journal-title":"J. Am. Chem. Soc."},{"issue":"2","key":"D4RA06893A\/cit10\/1","first-page":"486","volume":"83","author":"Brown","year":"1961","journal-title":"J. Am. Chem. Soc."},{"issue":"3","key":"D4RA06893A\/cit11\/1","doi-asserted-by":"crossref","first-page":"397","DOI":"10.1021\/ja01057a022","volume":"86","author":"Brown","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"D4RA06893A\/cit12\/1","volume-title":"Reductions in organic chemistry","author":"Hudlicky","year":"1996","unstructured":"M.Hudlicky ,  Reductions in organic chemistry ,  1996"},{"issue":"2","key":"D4RA06893A\/cit13\/1","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1021\/ar9502341","volume":"30","author":"Noyori","year":"1997","journal-title":"Acc. Chem. Res."},{"key":"D4RA06893A\/cit14\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.apcata.2005.05.045","volume":"292","author":"M\u00e4ki-Arvela","year":"2005","journal-title":"Appl. Catal., A"},{"key":"D4RA06893A\/cit15a\/1","volume-title":"Catalytic hydrogenation","author":"Cerven\u00fd","year":"1986","unstructured":"L.Cerven\u00fd ,  Catalytic hydrogenation ,  Elsevier ,  1986"},{"key":"D4RA06893A\/cit15b\/1","volume-title":"The Handbook of Homogeneous Hydrogenation","author":"de Vries","year":"2007","unstructured":"J. G.de Vries  and  C. J.Elsevier ,  The Handbook of Homogeneous Hydrogenation ,  Wiley-VCH ,  Weinheim ,  2007"},{"issue":"20","key":"D4RA06893A\/cit16\/1","doi-asserted-by":"crossref","first-page":"3133","DOI":"10.1016\/j.tetlet.2014.03.140","volume":"55","author":"Ito","year":"2014","journal-title":"Tetrahedron Lett."},{"issue":"10","key":"D4RA06893A\/cit17\/1","doi-asserted-by":"crossref","first-page":"878","DOI":"10.1002\/anie.198508781","volume":"24","author":"M\u00e4nnig","year":"1985","journal-title":"Angew Chem. Int. Ed. Engl."},{"issue":"3","key":"D4RA06893A\/cit18\/1","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1039\/C1CC14508H","volume":"48","author":"Khalimon","year":"2012","journal-title":"Chem. Commun."},{"issue":"7","key":"D4RA06893A\/cit19\/1","doi-asserted-by":"crossref","first-page":"2085","DOI":"10.1021\/om801228m","volume":"28","author":"Koren-Selfridge","year":"2009","journal-title":"Organometallics"},{"issue":"10","key":"D4RA06893A\/cit20\/1","doi-asserted-by":"crossref","first-page":"3859","DOI":"10.1039\/C4SC01110D","volume":"5","author":"Suh","year":"2014","journal-title":"Chem. Sci."},{"issue":"45","key":"D4RA06893A\/cit21\/1","doi-asserted-by":"crossref","first-page":"11343","DOI":"10.1002\/anie.201205741","volume":"51","author":"Sgro","year":"2012","journal-title":"Angew. Chem., Int. Ed. Engl."},{"issue":"26","key":"D4RA06893A\/cit22\/1","doi-asserted-by":"crossref","first-page":"8872","DOI":"10.1021\/ja103982t","volume":"132","author":"Chakraborty","year":"2010","journal-title":"J. Am. Chem. Soc."},{"issue":"10","key":"D4RA06893A\/cit23\/1","doi-asserted-by":"crossref","first-page":"1316","DOI":"10.1021\/om50004a009","volume":"2","author":"Brown","year":"1983","journal-title":"Organometallics"},{"issue":"23","key":"D4RA06893A\/cit24\/1","doi-asserted-by":"crossref","first-page":"7508","DOI":"10.1021\/jo00128a024","volume":"60","author":"Ishiyama","year":"1995","journal-title":"J. Org. Chem."},{"issue":"11","key":"D4RA06893A\/cit25\/1","doi-asserted-by":"crossref","first-page":"1421","DOI":"10.1055\/s-0037-1609682","volume":"29","author":"Zuo","year":"2018","journal-title":"Synlett"},{"issue":"1\u20132","key":"D4RA06893A\/cit26\/1","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0022-328X(03)00176-1","volume":"680","author":"Ishiyama","year":"2003","journal-title":"J. Organomet. Chem."},{"issue":"9","key":"D4RA06893A\/cit27\/1","doi-asserted-by":"crossref","first-page":"3729","DOI":"10.1021\/jo0269114","volume":"68","author":"Zhu","year":"2003","journal-title":"J. Org. Chem."},{"issue":"18","key":"D4RA06893A\/cit28\/1","doi-asserted-by":"crossref","first-page":"9219","DOI":"10.1021\/cr400274j","volume":"114","author":"Sun","year":"2014","journal-title":"Chem. Rev."},{"issue":"31","key":"D4RA06893A\/cit29\/1","doi-asserted-by":"crossref","first-page":"7158","DOI":"10.1002\/anie.201101941","volume":"50","author":"Bonet","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"issue":"18","key":"D4RA06893A\/cit30\/1","doi-asserted-by":"crossref","first-page":"5193","DOI":"10.1002\/ange.201700946","volume":"129","author":"Verma","year":"2017","journal-title":"Angew. Chem."},{"issue":"36","key":"D4RA06893A\/cit31\/1","doi-asserted-by":"crossref","first-page":"12766","DOI":"10.1021\/ja107037r","volume":"132","author":"Lee","year":"2010","journal-title":"J. Am. Chem. Soc."},{"issue":"13","key":"D4RA06893A\/cit32\/1","doi-asserted-by":"crossref","first-page":"4375","DOI":"10.1002\/ange.201511255","volume":"128","author":"Miralles","year":"2016","journal-title":"Angew. Chem."},{"issue":"4","key":"D4RA06893A\/cit33\/1","doi-asserted-by":"crossref","first-page":"932","DOI":"10.1039\/C5GC02633D","volume":"18","author":"Yang","year":"2016","journal-title":"Green Chem."},{"issue":"1","key":"D4RA06893A\/cit34\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.tetlet.2015.09.077","volume":"57","author":"Hong","year":"2016","journal-title":"Tetrahedron Lett."},{"issue":"1","key":"D4RA06893A\/cit35\/1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.3390\/molecules24010101","volume":"24","author":"Wen","year":"2018","journal-title":"Molecules"},{"issue":"72","key":"D4RA06893A\/cit36\/1","doi-asserted-by":"crossref","first-page":"10104","DOI":"10.1039\/C8CC06153J","volume":"54","author":"Davenport","year":"2018","journal-title":"Chem. Commun."},{"issue":"1","key":"D4RA06893A\/cit37\/1","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1002\/cssc.201300485","volume":"7","author":"Gawande","year":"2014","journal-title":"ChemSusChem"},{"issue":"16","key":"D4RA06893A\/cit38\/1","doi-asserted-by":"crossref","first-page":"4475","DOI":"10.1039\/C6GC01279E","volume":"18","author":"Sarkar","year":"2016","journal-title":"Green Chem."},{"issue":"8","key":"D4RA06893A\/cit39\/1","doi-asserted-by":"crossref","first-page":"1738","DOI":"10.1039\/C8GC00042E","volume":"20","author":"Stachowiak","year":"2018","journal-title":"Green Chem."},{"issue":"27","key":"D4RA06893A\/cit40\/1","doi-asserted-by":"crossref","first-page":"10744","DOI":"10.1039\/C9NJ02722J","volume":"43","author":"Wang","year":"2019","journal-title":"New J. Chem."},{"issue":"14","key":"D4RA06893A\/cit41\/1","doi-asserted-by":"crossref","first-page":"3604","DOI":"10.1039\/C9OB00485H","volume":"17","author":"Wang","year":"2019","journal-title":"Org. Biomol. Chem."},{"issue":"10","key":"D4RA06893A\/cit42\/1","doi-asserted-by":"crossref","first-page":"2776","DOI":"10.1039\/C9OB00264B","volume":"17","author":"Liu","year":"2019","journal-title":"Org. Biomol. Chem."},{"issue":"11","key":"D4RA06893A\/cit43\/1","doi-asserted-by":"crossref","first-page":"1575","DOI":"10.1002\/ajoc.201700343","volume":"6","author":"Wei","year":"2017","journal-title":"Asian J. Org. Chem."},{"issue":"13","key":"D4RA06893A\/cit44\/1","doi-asserted-by":"crossref","first-page":"5090","DOI":"10.1021\/acs.orglett.0c01685","volume":"22","author":"Yang","year":"2020","journal-title":"Org. Lett."},{"issue":"89","key":"D4RA06893A\/cit45\/1","doi-asserted-by":"crossref","first-page":"12092","DOI":"10.1039\/C7CC06800J","volume":"53","author":"Yang","year":"2017","journal-title":"Chem. Commun."},{"key":"D4RA06893A\/cit48\/1","author":"Frisch","unstructured":"M.Frisch ,  G.Trucks ,  H.Schlegel ,  G.Scuseria ,  M.Robb ,  J.Cheeseman ,  G.Scalmani ,  V.Barone ,  B.Mennucci , and  G.Petersson ,  H. P.Hratchian ,  A. F.Izmaylov ,  J.Bloino ,  G.Zheng ,  J. L.Sonnenberg ,  M.Hada ,  M.Ehara ,  K.Toyota ,  R.Fukuda ,  J.Hasegawa ,  M.Ishida ,  T.Nakajima ,  Y.Honda ,  O.Kitao ,  H.Nakai ,  T.Vreven ,  J. A.Montgomery ,  J. E.Peralta ,  F.Ogliaro ,  M.Bearpark ,  J. J.Heyd ,  E.Brothers ,  K. N.Kudin  and  VN. 50"},{"issue":"11","key":"D4RA06893A\/cit50\/1","doi-asserted-by":"crossref","first-page":"114110","DOI":"10.1063\/1.3359469","volume":"132","author":"Scalmani","year":"2010","journal-title":"J. Chem. Phys."}],"container-title":["RSC Advances"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/RA\/D4RA06893A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T17:54:13Z","timestamp":1783533253000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/ra\/article\/15\/4\/2862-2873\/867554"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":48,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2025,1,23]]}},"URL":"https:\/\/doi.org\/10.1039\/d4ra06893a","relation":{},"ISSN":["2046-2069"],"issn-type":[{"value":"2046-2069","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}