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Crystals
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Crystal Structures of Boron Compounds
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Crystal Structures of Boron Compounds

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

Deadline for manuscript submissions: closed (31 August 2018) | Viewed by 28223

Special Issue Editor

Prof. Dr. Sławomir Grabowski

E-Mail Website
Guest Editor
Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU, Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia, Spain
Interests: hydrogen bond; lewis acid–Lewis base interactions; atoms in molecules theory; ab initio calculations
Special Issues, Collections and Topics in MDPI journals

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 submissions that pass pre-check are 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 2100 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

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Published Papers (5 papers)

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Research

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12 pages, 2272 KiB  
Communication
Synthesis and Fluorescence Properties of a Structurally Characterized Hetero-Hexanuclear Zn(II)-La(III) Salamo-Like Coordination Compound Containing Auxiliary Ligands
by Wen-Ting Guo, Ling-Zhi Liu, Meng Yu, Fei Wang, Jian-Chun Ma and Wen-Kui Dong
Crystals 2018, 8(11), 414; https://doi.org/10.3390/cryst8110414 - 4 Nov 2018
Cited by 2 | Viewed by 2973
Abstract
A hetero-hexanuclear Zn(II)-La(III) coordination compound, [{(ZnL)2La}2(bdc)2](NO3)2 (H2bdc = terephthalic acid) has been synthesized with a symmetric Salamo-like bisoxime, and characterized by elemental analyses, IR, UV-Vis, fluorescent spectroscopy, and single-crystal X-ray diffraction analysis. [...] Read more.
A hetero-hexanuclear Zn(II)-La(III) coordination compound, [{(ZnL)2La}2(bdc)2](NO3)2 (H2bdc = terephthalic acid) has been synthesized with a symmetric Salamo-like bisoxime, and characterized by elemental analyses, IR, UV-Vis, fluorescent spectroscopy, and single-crystal X-ray diffraction analysis. All of the Zn(II) ions are pentacoordinated by N2O2 donator atoms from the (L)2− unit and one oxygen atom from one terephthalate anion. The Zn(II) ions adopt trigonal bipyramidal geometries (τZn1 = 0.61, τZn2 = 0.56). The La(III) ions are decacoordinated in the Zn(II)-La(III) coordination compound and has a distorted bicapped square antiprism geometry. Meanwhile, the photophysical property of the Zn(II)-La(III) coordination compound was also measured and discussed. Full article
(This article belongs to the Special Issue Crystal Structures of Boron Compounds)
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15 pages, 7622 KiB  
Communication
Structural Characterized Homotrinuclear ZnII Bis(Salamo)-Based Coordination Compound: Hirshfeld Surfaces, Fluorescent and Antimicobial Properties
by Yang Zhang, Ling-Zhi Liu, Ying-Qi Pan and Wen-Kui Dong
Crystals 2018, 8(7), 259; https://doi.org/10.3390/cryst8070259 - 22 Jun 2018
Cited by 10 | Viewed by 3352
Abstract
A homotrinuclear ZnII bis(salamo) coordination compound, [LZn3(OAc)2(H2O)] of a new bis(salamo)-like ligand, has been synthesized and structurally characterized using elemental analyses, IR, UV-Vis and fluorescent spectra, and Hirshfeld surface analysis. Hirshfeld surface analyses and X-ray crystallography [...] Read more.
A homotrinuclear ZnII bis(salamo) coordination compound, [LZn3(OAc)2(H2O)] of a new bis(salamo)-like ligand, has been synthesized and structurally characterized using elemental analyses, IR, UV-Vis and fluorescent spectra, and Hirshfeld surface analysis. Hirshfeld surface analyses and X-ray crystallography revealed that complexation between ZnII acetate dihydrate and the ligand H4L afforded a 3:1 (ZnII:L) type coordination compound. Moreover, the X-ray crystal structure analysis demonstrated that two μ2-acetate anions bridge three ZnII atoms in a μ2-fashion forming a homo-trinuclear structure. There were two kinds of ZnII atoms coordination geometries (strongly distorted square pyramidal (Zn1) and distorted trigonal bipyramidal (Zn2 and Zn3)) in the ZnII coordination compound. In addition, a 3D supra-molecular structure was constructed by intermolecular C-H···π and π···π interactions in the ZnII coordination compound. Most importantly, the fluorescent and antimicrobial properties of H4L and its ZnII coordination compound were investigated. Full article
(This article belongs to the Special Issue Crystal Structures of Boron Compounds)
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Graphical abstract

16 pages, 4334 KiB  
Article
Trinuclear Co(II) and Mononuclear Ni(II) Salamo-Type Bisoxime Coordination Compounds
by Xiao-Yan Li, Quan-Peng Kang, Ling-Zhi Liu, Jian-Chun Ma and Wen-Kui Dong
Crystals 2018, 8(1), 43; https://doi.org/10.3390/cryst8010043 - 17 Jan 2018
Cited by 65 | Viewed by 5190
Abstract
One trinuclear Co(II) coordination compound [{CoL1(OAc)(CH3COCH3)}2Co] (1) and one unprecedented mononuclear Ni(II) coordination compound [Ni(L2)2] (2), constructed from a Salamo-type ligand H2L1 were synthesized [...] Read more.
One trinuclear Co(II) coordination compound [{CoL1(OAc)(CH3COCH3)}2Co] (1) and one unprecedented mononuclear Ni(II) coordination compound [Ni(L2)2] (2), constructed from a Salamo-type ligand H2L1 were synthesized and characterized by elemental analyses, IR, UV-vis spectra, and single crystal X-ray diffraction analyses. The results show that the Co(II) atoms have no significant distortion in CoO6 or CoO4N2 octahedrons in coordination compound 1. Interestingly, in coordination compound 2, the desired tri- or mono-nuclear Salamo-type Ni(II) coordination compound was not obtained, but an unprecedented Ni(II) coordination compound [Ni(L2)2] was synthesized, the Ni1 atom having no significant distortion in the NiO2N2 planar quadrilateral geometry. Furthermore, the antimicrobial activities of coordination compound 1 and previously reported coordination compound [{CoL1(OAc)(MeOH)}2Co]·2MeOH (3) are discussed. Full article
(This article belongs to the Special Issue Crystal Structures of Boron Compounds)
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3134 KiB  
Article
Binuclear Copper(I) Borohydride Complex Containing Bridging Bis(diphenylphosphino) Methane Ligands: Polymorphic Structures of [(µ2-dppm)2Cu2(η2-BH4)2] Dichloromethane Solvate
by Natalia V. Belkova, Igor E. Golub, Evgenii I. Gutsul, Konstantin A. Lyssenko, Alexander S. Peregudov, Viktor D. Makhaev, Oleg A. Filippov, Lina M. Epstein, Andrea Rossin, Maurizio Peruzzini and Elena S. Shubina
Crystals 2017, 7(10), 318; https://doi.org/10.3390/cryst7100318 - 20 Oct 2017
Cited by 12 | Viewed by 9313
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)2Cu2(η2-BH4)2], and crystallizes [...] Read more.
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)2Cu2(η2-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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5876 KiB  
Review
What Can We Learn from the Crystal Structures of Metallacarboranes?
by Alan J. Welch
Crystals 2017, 7(8), 234; https://doi.org/10.3390/cryst7080234 - 29 Jul 2017
Cited by 23 | Viewed by 6070
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 [...] Read more.
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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