A HBO ion which makes up the (NH)BO(OH)·2HO crystal structure has two types of boron-oxygen bonds, single B-O bonds and an intermediate between single and double BO bonds. Differences between these two bond types are visible not only because they differ by their lengths but also a topology of electron density distribution differs. This also gives a hint as to how to distinguish between these two bond types. Experimental results based on multipole model refinement gave excellent agreement with theoretical calculations and literature data. Calculations at bond critical points for B-O and BO (electron density, the Laplacian of electron density and the localized-orbital locator function) suggest us how boron-oxygen bonds should be categorised with respect to compounds previously reported in the literature. Additionally, a novel synthesis method for the investigated compound has been developed, which involves crystallization from an aqueous solution of BHNH dissolved in a mixture of tetrahydrofuran and water.
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http://dx.doi.org/10.1039/d2dt02442j | DOI Listing |
Microsc Microanal
August 2024
Department of Materials Science and Engineering, University of California, Berkeley, CA 94720, USA.
Phys Chem Chem Phys
May 2024
State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620, China.
Graphitic carbon nitride (g-CN or GCN) shows promise in photocatalytic water splitting, despite facing the challenge of rapid electron-hole recombination. In this study, we investigated the influence of boron/oxygen codoping on the photocatalytic performance of GCN systems for hydrogen generation. First-principles calculations and nonadiabatic molecular dynamics (NAMD) simulations were employed to reveal that the recombination time of photogenerated carriers could be increased by 16% to 64% in the codoped systems compared to the pristine GCN.
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August 2023
A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov Str., 119334 Moscow, Russia.
The review covers more than a century of decaborane chemistry from the first synthesis by Alfred Stock to the present day. The main attention is paid to the reactions of the substitution of hydrogen atoms by various atoms and groups with the formation of -polyhedral boron-halogen, boron-oxygen, boron-sulfur, boron-nitrogen, boron-phosphorus, and boron-carbon bonds. Particular attention is paid to the chemistry of -borane -[BH], whose structure is formed by two decaborane moieties with a common edge, the chemistry of which has been intensively developed in the last decade.
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October 2022
Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
A HBO ion which makes up the (NH)BO(OH)·2HO crystal structure has two types of boron-oxygen bonds, single B-O bonds and an intermediate between single and double BO bonds. Differences between these two bond types are visible not only because they differ by their lengths but also a topology of electron density distribution differs. This also gives a hint as to how to distinguish between these two bond types.
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September 2022
Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Covalent attachment of molecules to metal oxide surfaces typically demands the presence of an anchoring group that in turn requires synthetic steps to introduce. BODIPY (4,4-difluoro-4-bora-3a,4a-diaza--indacene) chromophores have long been used in dye-sensitized solar cells, but carboxylic acid groups typically had to be installed to act as surface anchors. We now find that even without the introduction of such anchors, the unmodified BODIPY can bind to TiO surfaces its BF group through boron-oxygen surface bonds.
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