QTAIM Analysis of Mono-Hydroxy Derivatives of closo-Borate Anions [BnHn– 1OH]2– (n = 6, 10, 12)
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DOI: 10.1134/s0036023619140031
Abstract: This theoretical study focused on the structure of mono-hydroxy derivatives of closo-borate anions and nature of bonding interactions in these species. DFT calculations at the ωB97X-D3/6-31++G(d,p) level of theory have been performed and B–B, B–H,… read more here.
Keywords: hydroxy derivatives; closo borate; anions bnhn; borate anions ... See more keywords
Non-Covalent Interactions in the Crystal Structures of Perbrominated Sulfonium Derivatives of the closo-Decaborate Anion
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DOI: 10.3390/ijms231912022
Abstract: A new series of compounds based on perbrominated disubstituted sulfonium derivatives of the closo-decaborate anion (n-Bu4N)[2-B10Br9SR2] (R = n-Pr, i-Pr, n-Bu, n-C8H17, n-C12H25, n-C18H37) was obtained, characterised by modern physicochemical methods of analysis. According to… read more here.
Keywords: closo decaborate; decaborate anion; non covalent; derivatives closo ... See more keywords