Special Issue "Halogen Bonding in Supramolecular Self-Assembly"

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

Deadline for manuscript submissions: closed (30 November 2020).

Special Issue Editor

Dr. Barbara Miroslaw
Website
Guest Editor
Maria Curie-Sklodowska University in Lublin, Faculty of Chemistry, Pl. Marii Curie-Skłodowskiej 3, 20-031 Lublin, Poland
Interests: halogen bonding; supramolecular chemistry; crystal engineering; coordination chemistry; 3d-4f complexes; luminescence; non-covalent interactions; structure-properties relationship; topological studies; X-ray crystallography

Special Issue Information

Dear Colleagues,

Halogen bonding (XB) being an electrostatic interaction between an electrophilic halogen atom (Lewis acid) and an electron-rich agent (Lewis base) belongs to noncovalent inetractions together with hydrogen bonding (HB), π effects, Van der Waals forces etc. Because of its directionality, strength and lower sensitivity to solvent polarity changes than in the case of HB, it has emerged as a powerful and highly effective tool in various fields of supramolecular chemistry for controlling the molecular structure (especially in macromolecules), supramolecular architecture and physicochemical properties of organic and coordination compounds. XB proved to be an important driving force in self-assembly not only in the solid state but also in solution and at the liquid-solid interface. The application of XB covers crystal engineering, rational drug design, liquid crystals, organocatalysis, semiconductors, anion recognition, electrochemical sensing and many more.

This Special Issue gives the opportunity to present the important and timely contributions to the field of the supramolecular self-assembly driven by halogen bonding in various fields of application. We encourage to contribute to this Special Issue all scientists active in a wide range of disciplines to present their up-to-date interesting results including data form fundamental research up to practical applications. We want to highlight the most recent advances, challenges and perspectives in this research area. Scientists are invited to contribute with original papers or short reviews on their activity in the field.

Dr. Barbara Miroslaw
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 1800 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

  • halogen boding
  • supramolecular self-assembly
  • supramolecular architecture
  • organic and coordination compounds
  • topological studies
  • intermolecular interactions

Published Papers (3 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

Open AccessArticle
Halide Ion Embraces in Tris(2,2′-bipyridine)metal Complexes
Crystals 2020, 10(8), 671; https://doi.org/10.3390/cryst10080671 - 03 Aug 2020
Abstract
An analysis of the [M(bpy)3]n+ (bpy = 2,2′-bipyridine) complexes with halide counterions in the Cambridge Structural Database reveals a common structural motif in two thirds of the compounds. This interaction involves the formation of 12 short C–H…X contacts between [...] Read more.
An analysis of the [M(bpy)3]n+ (bpy = 2,2′-bipyridine) complexes with halide counterions in the Cambridge Structural Database reveals a common structural motif in two thirds of the compounds. This interaction involves the formation of 12 short C–H…X contacts between halide ions lying within sheets of the cations and H-3 and H-3′ of six [M(bpy)3]n+ complex cations. A second motif, also involving 12 short contacts, but with H-6 and H-5, is identified between halide ions lying between sheets of the [M(bpy)3]n+ cations. Full article
(This article belongs to the Special Issue Halogen Bonding in Supramolecular Self-Assembly)
Show Figures

Graphical abstract

Open AccessArticle
Crystal Structure and Supramolecular Architecture of Inorganic Ligand-Coordinated Salen-Type Schiff Base Complex: Insights into Halogen Bond from Theoretical Analysis and 3D Energy Framework Calculations
Crystals 2020, 10(4), 334; https://doi.org/10.3390/cryst10040334 - 23 Apr 2020
Cited by 5
Abstract
To identify the effects of halogen bonding in the architecture of Schiff base complex supramolecular networks, we introduced halogenated Schiff-base 3-Br-5-Cl-salen as ligand and isolated a new salen-type manganese(III) complex [MnIII(Cl)(H2O)(3-Br-5-Cl-salen)] (1) where 3-Br-5-Cl-salen = [...] Read more.
To identify the effects of halogen bonding in the architecture of Schiff base complex supramolecular networks, we introduced halogenated Schiff-base 3-Br-5-Cl-salen as ligand and isolated a new salen-type manganese(III) complex [MnIII(Cl)(H2O)(3-Br-5-Cl-salen)] (1) where 3-Br-5-Cl-salen = N,N’-bis(3-bromo-5-chlorosalicylidene)-1,2-diamine. The complex was investigated in the solid-state for halogen bonds (XBs) by single crystal X-ray structure analysis. Meanwhile, theoretical calculations were carried out to rationalize the formation mechanism of different types of XBs in the complex. The analysis result of electronic structure of the halogen bonds indicated that the chlorine atom coordinated to the Mn(III) center possesses the most negative potential and acts as anionic XB acceptor (electron donor) to the adjacent substituted halogens on the ligand, meanwhile the intermolecular Mn-Cl···X-C halogen bonding plays a significant role in directing the packing arrangement of adjacent molecules and linking the 2D layers into a 3D network. In order to verify the above results and acquire detailed information, the title complex was further analyzed by using the Hirshfeld surface analyses. Full article
(This article belongs to the Special Issue Halogen Bonding in Supramolecular Self-Assembly)
Show Figures

Graphical abstract

Open AccessArticle
Influence of Halogen Substituent on the Self-Assembly and Crystal Packing of Multicomponent Crystals Formed from Ethacridine and Meta-Halobenzoic Acids
Crystals 2020, 10(2), 79; https://doi.org/10.3390/cryst10020079 - 31 Jan 2020
Cited by 2
Abstract
In order to determine the influence of halogen substituent on the self-assembly of the 6,9-diamino-2-ethoxyacridinium cations and 3-halobenzoate anions in the crystals formed from ethacridine and halobenzoic acids, the series of ethacridinium meta-halobenzoates dihydrates: ethacridinium 3-chlorobenzoate dihydrate (1), ethacridinium 3-bromobenzoate [...] Read more.
In order to determine the influence of halogen substituent on the self-assembly of the 6,9-diamino-2-ethoxyacridinium cations and 3-halobenzoate anions in the crystals formed from ethacridine and halobenzoic acids, the series of ethacridinium meta-halobenzoates dihydrates: ethacridinium 3-chlorobenzoate dihydrate (1), ethacridinium 3-bromobenzoate dihydrate (2), and ethacridinium 3-iodobenzoate dihydrate (3), were synthesized and structurally characterized. Single-crystal X-ray diffraction measurements showed that the title compounds crystallized in the monoclinic P21/c space group and are isostructural. In the crystals of title compounds, the ions and water molecules interact via N–H⋯O, O–H⋯O and C–H⋯O hydrogen bonds and π–π stacking interactions to produce blocks. The relationship between the distance X⋯O between the halogen atom (X=Cl, Br, I) of meta-halobenzoate anion and the O-atom from the ethoxy group of cation from neighbouring blocks and crystal packing is observed in the crystals of the title compounds. Full article
(This article belongs to the Special Issue Halogen Bonding in Supramolecular Self-Assembly)
Show Figures

Graphical abstract

Back to TopTop