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Simple Route to [PSH][B9H14] and a Contemporary Study of Its Solid-State Dynamic Behavior
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SYSNO ASEP 0575773 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Simple Route to [PSH][B9H14] and a Contemporary Study of Its Solid-State Dynamic Behavior Author(s) Bould, Jonathan (UACH-T) SAI, RID, ORCID
Londesborough, Michael Geoffrey Stephen (UACH-T) SAI, RID, ORCID
Brus, Jiří (UMCH-V) RID, ORCID
Tok, Oleg L. (UACH-T) RID, ORCID, SAI
Sanz Miguel, P. J. (ES)
Macías, R. (ES)Number of authors 6 Source Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 62, č. 36 (2023), s. 14568-14579Number of pages 12 s. Language eng - English Country US - United States Keywords Anions ; Cations ; Hydrogen ; Ions ; Salts Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry R&D Projects GA23-07563S GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UACH-T - RVO:61388980 ; UMCH-V - RVO:61389013 UT WOS 001065015800001 EID SCOPUS 85170581589 DOI https://doi.org/10.1021/acs.inorgchem.3c01665 Annotation The 1,8-bis(dimethylamino)naphthalenium ([PSH]+) decaborane salt, [PSH][B10H13], has been found to react in ethanol to form [PSH][B9H14] (1), affording a simple route to the synthesis of the arachno-nonaborate anion. This new polyhedral salt is characterized by NMR spectroscopy and X-ray diffraction. The measurement of diffusion coefficients by NMR methods demonstrates that the [PSH]+ cation and the [B9H14]- anion form ion pairs in a non-coordinating solvent such as CH2Cl2, whereas in CD3CN the formation of ion pairs was not observed. Insights into the long-known low-energy dynamic behavior, which involves the bridging and endo-terminal hydrogen atoms, are elucidated using DFT calculations. Salts [PSH][B9H14] (1) and [PSH][B9H14]·0.5CHCl3 (solvated, 1·0.5CHCl3) have also been studied by X-ray diffraction analysis. A solid-state NMR study has demonstrated that K[B9H14] and [PSH][B9H14] (1) undergo significantly different motion regimes, being a low-energy, weakly temperature-dependent process for 1, which may be ascribed to some type of low-amplitude reorientation of the whole boron cages. This process may be the mechanism for the low- to-room-temperature order-disorder hidden transition found by X-ray analysis. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2024 Electronic address https://pubs.acs.org/doi/epdf/10.1021/acs.inorgchem.3c01665
Number of the records: 1