{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,4]],"date-time":"2026-04-04T15:28:20Z","timestamp":1775316500602,"version":"3.50.1"},"reference-count":78,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2022,4,10]],"date-time":"2022-04-10T00:00:00Z","timestamp":1649548800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006769","name":"Russian Science Foundation","doi-asserted-by":"publisher","award":["20-73-00326"],"award-info":[{"award-number":["20-73-00326"]}],"id":[{"id":"10.13039\/501100006769","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The process of protonation of [2,6-B10H8O2CCH3]\u2212 was investigated both theoretically and experimentally. The most suitable conditions for protonation of the derivative [2,6-B10H8O2CCH3]\u2212 were found. The process of protonation was carried out in the presence of an excess of trifluoromethanesulfonic acid CF3SO3H at room temperature in dichloromethane solution. The structure of the resulting complex [2,6-B10H8O2CCH3*Hfac]0 was established using NMR data and the results of DFT calculations. An additional proton atom Hfac was found to be localized on one of the facets that was opposite the boron atom in a substituted position, and which bonded mainly with one apical boron atom. The main descriptors of the B-Hfac bond were established theoretically using QTAIM and NBO approaches. In addition, the mechanism of [2,6-B10H8O2CCH3]\u2212 protonation was investigated.<\/jats:p>","DOI":"10.3390\/ijms23084190","type":"journal-article","created":{"date-parts":[[2022,4,10]],"date-time":"2022-04-10T23:06:01Z","timestamp":1649631961000},"page":"4190","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Protonation of Borylated Carboxonium Derivative [2,6-B10H8O2CCH3]\u2212: Theoretical and Experimental Investigation"],"prefix":"10.3390","volume":"23","author":[{"given":"Ilya N.","family":"Klyukin","sequence":"first","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Anastasia V.","family":"Kolbunova","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"},{"name":"Faculty of Chemistry, Higher School of Economics, Myasnitskaya yl., 101000 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9913-5324","authenticated-orcid":false,"given":"Alexander S.","family":"Novikov","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7-9, 199034 Saint Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9990-4231","authenticated-orcid":false,"given":"Aleksey V.","family":"Nelyubin","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7426-5982","authenticated-orcid":false,"given":"Nikita A.","family":"Selivanov","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexander Yu.","family":"Bykov","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5958-7350","authenticated-orcid":false,"given":"Alexandra A.","family":"Klyukina","sequence":"additional","affiliation":[{"name":"Research Centre of Biotechnology, Winogradsky Institute of Microbiology, Russian Academy of Sciences, 60 let Oktjabrja pr-t, 7, bld. 2, 117312 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4083-386X","authenticated-orcid":false,"given":"Andrey P.","family":"Zhdanov","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4475-124X","authenticated-orcid":false,"given":"Konstantin Yu.","family":"Zhizhin","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"},{"name":"Lomonosov Institute of Fine Chemical Technologies, MIREA Russian Technological University, 78 Vernadskiy Avenue, 119571 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nikolay T.","family":"Kuznetsov","sequence":"additional","affiliation":[{"name":"Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,4,10]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"12747","DOI":"10.1002\/anie.202101403","article-title":"Neither too Classic nor too Exotic: One-Electron Na\u22c5B Bond in NaBH 3\u2212 Cluster","volume":"60","author":"Inostroza","year":"2021","journal-title":"Angew. 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