Protonation of Borylated Carboxonium Derivative [2,6-B10H8O2CCH3]-: Theoretical and Experimental Investigation.

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作者： Ilya N,Klyukin ^[1] ; Anastasia V,Kolbunova ^[1] ; Alexander S,Novikov ^[2] ; Aleksey V,Nelyubin ^[3] ; Nikita A,Selivanov ^[1] ; Alexander Yu,Bykov ^[1] ; Alexandra A,Klyukina ^[1] ; Andrey P,Zhdanov ^[4] ; Konstantin Yu,Zhizhin ^[1] ; Nikolay T,Kuznetsov ^[1]

作者单位： Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 117907 Moscow, Russia. ^[1] Faculty of Chemistry, Higher School of Economics, Myasnitskaya yl., 101000 Moscow, Russia. ^[2] Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7-9, 199034 Saint Petersburg, Russia. ^[3] Research Centre of Biotechnology, Winogradsky Institute of Microbiology, Russian Academy of Sciences, 60 let Oktjabrja pr-t, 7, bld. 2, 117312 Moscow, Russia. ^[4] Lomonosov Institute of Fine Chemical Technologies, MIREA Russian Technological University, 78 Vernadskiy Avenue, 119571 Moscow, Russia. ^[5]

关键词 DFT calculation Fukui function NMR spectra QTAIM boron cluster closo-borates protonation

主题词硼(Boron);磁共振波谱学(Magnetic Resonance Spectroscopy);模型, 分子(Models, Molecular);质子(Protons)

DOI 10.3390/ijms23084190

PMID 35457007

发布时间 2022-07-16

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