{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,17]],"date-time":"2026-07-17T01:50:53Z","timestamp":1784253053143,"version":"3.55.0"},"reference-count":91,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2023,3,10]],"date-time":"2023-03-10T00:00:00Z","timestamp":1678406400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21973068"],"award-info":[{"award-number":["21973068"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["SZS201708"],"award-info":[{"award-number":["SZS201708"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["aces.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry \u0097 An Asian Journal"],"published-print":{"date-parts":[[2023,4,17]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The development of the merger of a Ni(II) catalyst with an appropriate photocatalyst under visible\u2010light irradiation provides a new strategy for realizing direct functionalization of C(sp<jats:sup>3<\/jats:sup>)\u2212H bonds. Mechanistically, whether the reduction of Ni catalyst to form a Ni(0) species is necessary in the dual catalysis still remains under debate. Herein, DFT calculations were carried out to gain a mechanistic insight into the enantioselective acylation of \u03b1\u2010amino C(sp<jats:sup>3<\/jats:sup>)\u2212H bonds to furnish \u03b1\u2010amino ketones via photoredox and Ni dual catalysis. A feasible mechanistic pathway for the Ni catalysis via the Ni(I)\u2212Ni(III)\u2212Ni(II)\u2212Ni(III)\u2212Ni(I) cycle is suggested with the sequential elementary steps of oxidative addition, single electron reduction, radical addition, and reductive elimination in leading to the final product, whereas a nickel catalytic cycle, Ni(I)\u2212Ni(0)\u2212Ni(II)\u2212Ni(III)\u2212Ni(I), might not be feasible for the photoredox and Ni dual\u2010catalyzed acylation of \u03b1\u2010amino C(sp<jats:sup>3<\/jats:sup>)\u2212H bonds. The origin of the stereoselectivity for this reaction is also discussed, which could be attributed to the minimization of the steric hindrance between the alkyl moiety of radical part and phenyl group of the chiral ligand.<\/jats:p>","DOI":"10.1002\/asia.202201266","type":"journal-article","created":{"date-parts":[[2023,3,5]],"date-time":"2023-03-05T06:59:22Z","timestamp":1677999562000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Mechanistic Insights into Enantioselective C(sp<sup>3<\/sup>)\u2212H Acylation to Construct \u03b1\u2010Amino Ketones via Photoredox and Ni(II) Dual Catalysis: A DFT Study"],"prefix":"10.1002","volume":"18","author":[{"given":"Ran","family":"Liu","sequence":"first","affiliation":[{"name":"Innovation Center for Chemical Sciences College of Chemistry Chemical Engineering and Materials Science Soochow University  199 Ren-Ai Road, Suzhou Industrial Park Suzhou Jiangsu 215123 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kang","family":"Lv","sequence":"additional","affiliation":[{"name":"Innovation Center for Chemical Sciences College of Chemistry Chemical Engineering and Materials Science Soochow University  199 Ren-Ai Road, Suzhou Industrial Park Suzhou Jiangsu 215123 P. R. China"},{"name":"School of Engineering Jining University  Qufu Shandong 273155 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7190-8866","authenticated-orcid":false,"given":"Xiaoguang","family":"Bao","sequence":"additional","affiliation":[{"name":"Innovation Center for Chemical Sciences College of Chemistry Chemical Engineering and Materials Science Soochow University  199 Ren-Ai Road, Suzhou Industrial Park Suzhou Jiangsu 215123 P. R. China"},{"name":"Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow University  Suzhou Jiangsu 215123 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2023,3,10]]},"reference":[{"key":"e_1_2_8_1_1","unstructured":"\u00a0"},{"key":"e_1_2_8_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c05250"},{"key":"e_1_2_8_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2022.10.005"},{"key":"e_1_2_8_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.chempr.2022.04.018"},{"key":"e_1_2_8_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202112848"},{"key":"e_1_2_8_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.1c00519"},{"key":"e_1_2_8_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202209625"},{"key":"e_1_2_8_8_2","doi-asserted-by":"publisher","DOI":"10.1039\/D1CS00727K"},{"key":"e_1_2_8_9_2","doi-asserted-by":"publisher","DOI":"10.1039\/C4CC08797F"},{"key":"e_1_2_8_10_2","doi-asserted-by":"publisher","DOI":"10.1039\/C8CC00485D"},{"key":"e_1_2_8_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.tet.2015.07.005"},{"key":"e_1_2_8_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.1c00132"},{"key":"e_1_2_8_13_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.1c02133"},{"key":"e_1_2_8_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/ajoc.201700450"},{"key":"e_1_2_8_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201801746"},{"key":"e_1_2_8_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c00687"},{"key":"e_1_2_8_17_1","unstructured":"\u00a0"},{"key":"e_1_2_8_18_2","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-017-0052"},{"key":"e_1_2_8_19_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809431"},{"key":"e_1_2_8_19_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201809431"},{"key":"e_1_2_8_20_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b00094"},{"key":"e_1_2_8_21_2","doi-asserted-by":"publisher","DOI":"10.1039\/C5QO00437C"},{"key":"e_1_2_8_22_2","doi-asserted-by":"publisher","DOI":"10.1055\/s-0037-1610222"},{"key":"e_1_2_8_23_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c01979"},{"key":"e_1_2_8_24_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c03127"},{"key":"e_1_2_8_25_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c03576"},{"key":"e_1_2_8_26_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c03902"},{"key":"e_1_2_8_27_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c03960"},{"key":"e_1_2_8_28_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201808024"},{"key":"e_1_2_8_28_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201808024"},{"key":"e_1_2_8_29_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202108465"},{"key":"e_1_2_8_30_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c02345"},{"key":"e_1_2_8_31_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c02795"},{"key":"e_1_2_8_32_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.8b01561"},{"key":"e_1_2_8_33_1","unstructured":"\u00a0"},{"key":"e_1_2_8_34_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c01232"},{"key":"e_1_2_8_35_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201607305"},{"key":"e_1_2_8_35_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201607305"},{"key":"e_1_2_8_36_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201603149"},{"key":"e_1_2_8_36_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201603149"},{"key":"e_1_2_8_37_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201805118"},{"key":"e_1_2_8_37_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201805118"},{"key":"e_1_2_8_38_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809879"},{"key":"e_1_2_8_38_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201809879"},{"key":"e_1_2_8_39_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201809400"},{"key":"e_1_2_8_39_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201809400"},{"key":"e_1_2_8_40_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201710523"},{"key":"e_1_2_8_40_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201710523"},{"key":"e_1_2_8_41_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201914555"},{"key":"e_1_2_8_41_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201914555"},{"key":"e_1_2_8_42_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202208232"},{"key":"e_1_2_8_43_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201801746"},{"key":"e_1_2_8_44_1","unstructured":"\u00a0"},{"key":"e_1_2_8_45_2","doi-asserted-by":"publisher","DOI":"10.1021\/jo202538x"},{"key":"e_1_2_8_46_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr300503r"},{"key":"e_1_2_8_47_2","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.687"},{"key":"e_1_2_8_48_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201200223"},{"key":"e_1_2_8_48_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201200223"},{"key":"e_1_2_8_49_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr068352x"},{"key":"e_1_2_8_50_2","doi-asserted-by":"publisher","DOI":"10.1039\/c3ob40137e"},{"key":"e_1_2_8_51_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature22813"},{"key":"e_1_2_8_52_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201511438"},{"key":"e_1_2_8_52_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201511438"},{"key":"e_1_2_8_53_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c10471"},{"key":"e_1_2_8_54_1","unstructured":"\u00a0"},{"key":"e_1_2_8_55_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.5b02204"},{"key":"e_1_2_8_56_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b01773"},{"key":"e_1_2_8_57_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201800701"},{"key":"e_1_2_8_57_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201800701"},{"key":"e_1_2_8_58_2","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC05402E"},{"key":"e_1_2_8_59_1","unstructured":"\u00a0"},{"key":"e_1_2_8_60_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c04213"},{"key":"e_1_2_8_61_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b04789"},{"key":"e_1_2_8_62_2","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c02345"},{"key":"e_1_2_8_63_1","unstructured":"\u00a0"},{"key":"e_1_2_8_64_2","doi-asserted-by":"publisher","DOI":"10.1039\/C8CC03550D"},{"key":"e_1_2_8_65_2","first-page":"1456","volume":"3","author":"Dong Y.-J.","year":"2021","journal-title":"CCS Chem."},{"key":"e_1_2_8_66_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c05010"},{"key":"e_1_2_8_67_1","unstructured":"\u00a0"},{"key":"e_1_2_8_68_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"e_1_2_8_69_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"e_1_2_8_70_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"e_1_2_8_71_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.448975"},{"key":"e_1_2_8_72_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00533485"},{"key":"e_1_2_8_73_1","doi-asserted-by":"publisher","DOI":"10.1021\/ar00072a001"},{"key":"e_1_2_8_74_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"e_1_2_8_75_1","unstructured":"\u00a0"},{"key":"e_1_2_8_76_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.452288"},{"key":"e_1_2_8_77_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01114537"},{"key":"e_1_2_8_78_1","unstructured":"M.\u2005J. Frisch G.\u2005W. Trucks H.\u2005B. Schlegel G.\u2005E. Scuseria M.\u2005A. Robb J.\u2005R. Cheeseman G. Scalmani V. Barone B. Mennucci G.\u2005A. Petersson H. Nakatsuji M. Caricato X. Li H.\u2005P. Hratchian A.\u2005F. Izmaylov J. Bloino G. Zheng J.\u2005L. Sonnenberg M. Hada M. Ehara K. Toyota R. Fukuda J. Hasegawa M. Ishida T. Nakajima Y. Honda O. Kitao H. Nakai T. Vreven J.\u2005A. Montgomery J.\u2005E. Peralta F. Ogliaro M. Bearpark J.\u2005J. Heyd E. Brothers K.\u2005N. Kudin V.\u2005N. Staroverov R. Kobayashi J. Normand K. Raghavachari A. Rendell J.\u2005C. Burant S.\u2005S. Iyengar J. Tomasi M. Cossi N. Rega N.\u2005J. Millam M. Klene J.\u2005E. Knox J.\u2005B. Cross V. Bakken C. Adamo J. Jaramillo R. Gomperts R.\u2005E. Stratmann O. Yazyev A.\u2005J. Austin R. Cammi C. Pomelli J.\u2005W. Ochterski R.\u2005L. Martin K. Morokuma V.\u2005G. Zakrzewski G.\u2005A. Voth P. Salvador J.\u2005J. Dannenberg S. Dapprich A.\u2005D. Daniels O. Farkas J.\u2005B. Foresman J.\u2005V. Ortiz J. Cioslowski D.\u2005J. Fox Gaussian 09 Revision C.01 Gaussian Inc. Wallingford CT 2010."},{"key":"e_1_2_8_79_1","unstructured":"C.\u2005Y. Legault CYLview 1.0b Universit\u00e9 de Sherbrooke Montreal 2009 http:\/\/www.Cylview.org."}],"container-title":["Chemistry \u2013 An Asian Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/asia.202201266","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/asia.202201266","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/aces.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/asia.202201266","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,8]],"date-time":"2025-10-08T15:52:32Z","timestamp":1759938752000},"score":1,"resource":{"primary":{"URL":"https:\/\/aces.onlinelibrary.wiley.com\/doi\/10.1002\/asia.202201266"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,10]]},"references-count":91,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2023,4,17]]}},"alternative-id":["10.1002\/asia.202201266"],"URL":"https:\/\/doi.org\/10.1002\/asia.202201266","archive":["Portico"],"relation":{},"ISSN":["1861-4728","1861-471X"],"issn-type":[{"value":"1861-4728","type":"print"},{"value":"1861-471X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,3,10]]},"assertion":[{"value":"2022-12-19","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-03-10","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202201266"}}