Special Issue "Crystal Structures of Boron Compounds"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Interactions in Crystal Structures".

Deadline for manuscript submissions: 31 August 2018

Special Issue Editor

Guest Editor
Prof. Dr. Sławomir J. Grabowski

Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU, Donostia International Physics Center (DIPC), P.K. 1072, 20080, Donostia, Euskadi, Spain
Website | E-Mail
Interests: hydrogen bond; Lewis acid–Lewis base interactions; atoms in molecules theory; ab initio calculations

Special Issue Information

Dear Colleagues,

This Special Issue covers numerous topics connected with boron chemistry in spite of the fact it is rather restricted to crystal structures. For example; studies on boron and its compounds are often related to catalysis, metallurgy, hydrogen storage, syntheses, materials chemistry, and so on. Since boron species possess unique electronic and structural properties, there are also numerous theoretical studies which consider the electron density distribution of such compounds. One can also mention investigations on the hypovalency of boron species, since boron is characterized by an intrinsic electron deficiency.

If one was to restrict the range to only crystal structures, a huge number of topics could still be mentioned which extend beyond crystal structures investigations, for example; carboranes, metallacarboranes, polyhedral boranes, boric acid and its complexes, boron-based cage metal complexes, benzoxaboroles, etc.

The goal of this forthcoming issue "Crystal Structures of Boron Compounds", is not only to present new crystal structures, but also to discuss the nature of interactions in such structures; the analysis of coordination of boron centres as well as discussing properties of boron compounds. This is why experimental studies on boron compounds crystal structures are welcome. However, theoretical analyses concerning boron compounds if related to crystals are also appropriate. The boron is a unique element of the 13th Group which even differs from other triel elements of this group. Contributions analyzing other triel compounds are therefore also welcome, especially if a comparison with boron related species is included.

It is a pleasure to invite you to submit a manuscript for this Special Issue; regular articles, communications, as well as reviews are all welcome.

Prof. Sławomir J. Grabowski
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • crystal structures of boron compounds

  • boron coordination

  • Lewis acid properties of boron centres

  • The nature of noncovalent interactions in boron structures

  • boron and other triel centres in crystal structures

Published Papers (2 papers)

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Research

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Open AccessArticle Binuclear Copper(I) Borohydride Complex Containing Bridging Bis(diphenylphosphino) Methane Ligands: Polymorphic Structures of [(µ2-dppm)2Cu22-BH4)2] Dichloromethane Solvate
Crystals 2017, 7(10), 318; doi:10.3390/cryst7100318
Received: 18 September 2017 / Revised: 13 October 2017 / Accepted: 17 October 2017 / Published: 20 October 2017
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Abstract
Bis(diphenylphosphino)methane copper(I) tetrahydroborate was synthesized by ligands exchange in bis(triphenylphosphine) copper(I) tetrahydroborate, and characterized by XRD, FTIR, NMR spectroscopy. According to XRD the title compound has dimeric structure, [(μ2-dppm)2Cu22-BH4)2], and crystallizes
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Bis(diphenylphosphino)methane copper(I) tetrahydroborate was synthesized by ligands exchange in bis(triphenylphosphine) copper(I) tetrahydroborate, and characterized by XRD, FTIR, NMR spectroscopy. According to XRD the title compound has dimeric structure, [(μ2-dppm)2Cu22-BH4)2], and crystallizes as CH2Cl2 solvate in two polymorphic forms (orthorhombic, 1, and monoclinic, 2) The details of molecular geometry and the crystal-packing pattern in polymorphs were studied. The rare Twisted Boat-Boat conformation of the core Cu2P4C2 cycle in 1 is found being more stable than Boat-Boat conformation in 2. Full article
(This article belongs to the Special Issue Crystal Structures of Boron Compounds)
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Review

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Open AccessFeature PaperReview What Can We Learn from the Crystal Structures of Metallacarboranes?
Crystals 2017, 7(8), 234; doi:10.3390/cryst7080234
Received: 26 June 2017 / Revised: 25 July 2017 / Accepted: 25 July 2017 / Published: 29 July 2017
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Abstract
The determination of the molecular structures of metallacarboranes by X-ray diffraction remains critical to the development of the field, in some cases being the only viable way in which the overall architecture and the isomeric form of the molecule can be established. In
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The determination of the molecular structures of metallacarboranes by X-ray diffraction remains critical to the development of the field, in some cases being the only viable way in which the overall architecture and the isomeric form of the molecule can be established. In such studies one problem frequently met is how to distinguish correctly {BH} and {CH} vertices, and this review begins by describing two relatively new methods, the Vertex-Centroid Distance (VCD) and Boron-Hydrogen Distance (BHD) methods, that have been developed to overcome the problem. Once the cage C atoms are located correctly, the resulting metallacarborane structure can frequently be analysed on the basis that cage B has a greater Structural Trans Effect (STE) than does cage C. In the absence of significant competing effects this gives rise to unequal M–L distances for a homogeneous ligand set and to a preferred Exopolyhedral Ligand Orientation (ELO) for a heterogeneous ligand set. ELO considerations can be used, amongst other things, to rank order the STEs of ligands and to identify suspect (in terms of cage C atom positions) metallacarborane structures. Full article
(This article belongs to the Special Issue Crystal Structures of Boron Compounds)
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