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Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces
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SYSNO ASEP 0377295 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces Tvůrce(i) Bould, Jonathan (UACH-T) SAI, RID, ORCID
Macháček, Jan (UACH-T) RID, ORCID, SAI
Londesborough, Michael Geoffrey Stephen (UACH-T) SAI, RID, ORCID
Macias, R. (ES)
Kennedy, D. J. (GB)
Bastl, Zdeněk (UFCH-W) RID, ORCID
Rupper, P. (CH)
Baše, Tomáš (UACH-T) RID, SAI, ORCIDZdroj.dok. Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 51, č. 3 (2012), s. 1685-1694Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova metallaborane reaction chemistry ; containing cluster chemistry ; reversible capture Vědní obor RIV CA - Anorganická chemie CEP KAN400480701 GA AV ČR - Akademie věd KAN100400702 GA AV ČR - Akademie věd IAA400320901 GA AV ČR - Akademie věd GAP207/11/1577 GA ČR - Grantová agentura ČR GAP205/10/0348 GA ČR - Grantová agentura ČR UT WOS 000300474700061 DOI 10.1021/ic202000b Anotace Three nido-decaborane thiol cluster compounds, [1-(HS)-nido-B10H13] 1, [2-(HS)-nido-B10H13] 2, and [1,2-(HS)(2)-nido-B10H12] 3 have been characterized using NMR spectroscopy, single-crystal X-ray diffraction analysis, and quantum-chemical calculations. In the solid state, 1, 2, and 3 feature weak intermolecular hydrogen bonding between the sulfur atom and the relatively positive bridging hydrogen atoms on the open face of an adjacent cluster. Density functional theory (DFT) calculations show that the value of the interaction energy is approximately proportional to the number of hydrogen atoms involved in the interaction and that these values are consistent with a related bridging-hydrogen atom interaction calculated for a B18H22 center dot C6H6 solvate. Self-assembled monolayers (SAMs) of 1, 2, and 3 on gold and silver surfaces have been prepared and characterized using X-ray photoelectron spectroscopy. The variations in the measured sulfur binding energies, as thiolates on the surface, correlate with the (CC2) calculated atomic charge for the relevant boron vertices and for the associated sulfur substituents for the parent B10H13(SH) compounds. The calculated charges also correlate with the measured and DFT-calculated thiol H-1 chemical shifts. Wetting-angle measurements indicate that the hydrophilic open face of the cluster is directed upward from the substrate surface, allowing the bridging hydrogen atoms to exhibit a similar reactivity to that of the bulk compound. Thus, [PtMe2(PMe2Ph)(2)] reacts with the exposed and acidic B-H-B bridging hydrogen atoms of a SAM of 1 on a gold substrate, affording the addition of the metal moiety to the cluster. The use of reactive boron hydride SAMs as templates on which further chemistry may be carried out is unprecedented, and the principle may be extended to other binary boron hydride clusters. Pracoviště Ústav anorganické chemie Kontakt Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Rok sběru 2013
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