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Crystals
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Self-Assembled Supramolecular Polymers via Strong H Bonding
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Self-Assembled Supramolecular Polymers via Strong H Bonding

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

Deadline for manuscript submissions: closed (12 October 2018) | Viewed by 18293

Special Issue Editor

Dr. Ana M. Garcia-Deibe

E-Mail Website
Guest Editor
Department of Inorganic Chemistry, Universidade de Santiago de Compostela, Campus Vida, E-15782 Santiago de Compostela, Spain
Interests: supramolecular chemistry; coordination chemistry; single crystal X-ray crystallography; H-bonding; chirality; fluorescence
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The great interest devoted to H‑bonded supramolecular polymers assembled is based on the profound effects that H-bonding can cause in polymeric materials. Its influence is not limited to crystalline structures, but physical, thermal, mechanical, optoelectronic and surface properties. Logically, many of these effects markedly depend on the strength of the interactions.

Typical examples of strong H-bonds are low-barrier (LBHB) and symmetric H‑bonds, as well as resonance and charge assisted H-bonds (RAHB and CAHB). However, we can consider many types of H‑bonds, from classic H-bonds to C‑H···π interactions. Hence, an unusually short H-bond of any type, could be also considered as strong.

In the case of polymers and polymer blends, an additional consideration must be included in the casuistry, as two different types of interactions can occur: Intrachain and interchain. Furthermore, although any individual H-bond can appear weak, the binding can be strong, and also highly specific, when multiple complementary H‑bonds are involved.

With so many possibilities, we would like to invite to investigators to submit papers discussing any aspect related to the role of strong H-bonds in supramolecular oligomers, polymers or polymer blends of any nature: Purely organic or metalosupramolecular.

Therefore, potential topics could include, but not be limited to:

  • Crystal growth of supramolecular polymers or polymer blends, including the modelling of crystal growth.
  • Advances in development of polymeric materials.
  • H-bonded 1D OFs and MOFs.
  • Property characterisation (physical, thermal, mechanical, optoelectronic, magnetic, electric, etc.) and possible relationships to external conditions.
  • Microstructure analysis and micro–macro correlation of the observed properties and their modelling.

Dr. Ana M. Garcia-Deibe
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 2600 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

  • Strong H-bonding
  • H-bonded oligomers
  • H-bonded polymers
  • Supramolecular polymers
  • Metalosupramolecular polymers
  • Polymer blends
  • Crystal growth
  • Physical properties
  • Thermal properties
  • Mechanical properties
  • Optoelectronic properties
  • Electric properties

Published Papers (5 papers)

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Research

9 pages, 2076 KiB  
Article
Two 1-D Coordination Polymers Containing Zinc(II) Hexaborates: [Zn(en){B6O7(OH)6}]·2H2O (en = 1,2-diaminoethane) and [Zn(pn){B6O7(OH)6}]·1.5H2O (pn = 1,2-diaminopropane)
by Mohammed A. Altahan, Michael A. Beckett, Simon J. Coles and Peter N. Horton
Crystals 2018, 8(12), 470; https://doi.org/10.3390/cryst8120470 - 14 Dec 2018
Cited by 10 | Viewed by 2964
Abstract
The synthesis and characterization by single-crystal X-ray diffraction (XRD) studies of two new zinc(II) hexaborate(2−) complexes, [Zn(en){B6O7(OH)6}]·2H2O (en = 1,2-diaminoethane) (1) and [Zn(pn){B6O7(OH)6}]·1.5H2O (pn = [...] Read more.
The synthesis and characterization by single-crystal X-ray diffraction (XRD) studies of two new zinc(II) hexaborate(2−) complexes, [Zn(en){B6O7(OH)6}]·2H2O (en = 1,2-diaminoethane) (1) and [Zn(pn){B6O7(OH)6}]·1.5H2O (pn = 1,2-diaminopropane) (2), are reported. These complexes crystallize from aqueous solutions containing 10:1 ratios of B(OH)3 and the appropriate Zn(II) amine complexes ([Zn(en)3][OH]2 or [Zn(pn)3][OH]2) through self-assembly processes. The hexaborate(2−) anions in 1 and 2 are coordinated to two Zn(II) centers and form one-dimensional (1-D) polymeric coordination chains. R22(8) and R22(6) inter-chain H-bond interactions play an important role in these self-assembly processes and are discussed. Full article
(This article belongs to the Special Issue Self-Assembled Supramolecular Polymers via Strong H Bonding)
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15 pages, 4730 KiB  
Article
The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies
by Saikat Kumar Seth
Crystals 2018, 8(12), 455; https://doi.org/10.3390/cryst8120455 - 07 Dec 2018
Cited by 47 | Viewed by 4109
Abstract
In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric [...] Read more.
In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric zigzag chain along [010] the carboxylate carbonyl oxygen atom by two-fold symmetry screw axis. The solid-state structure is stabilized through C–H···O hydrogen bonds and C–H···π interactions that lead the molecules to generate two-dimensional supramolecular assemblies. The intricate combinations of hydrogen bonds and C–H···π interactions are fully described along with computational studies. A thorough analysis of Hirshfeld surface and fingerprint plots elegantly quantify the interactions involved within the structure. The binding energies associated with the noncovalent interactions observed in the crystal structure and the interplay between them were calculated using theoretical DFT calculations. Weak noncovalent interactions were analyzed and characterized using Bader’s theory of ‘‘atoms-in-molecules’’ (AIM). Finally, the solid-state supramolecular assembly was characterized by the “Noncovalent Interaction” (NCI) plot index. Full article
(This article belongs to the Special Issue Self-Assembled Supramolecular Polymers via Strong H Bonding)
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10 pages, 2746 KiB  
Communication
Self-Assembly of a Carboxyl-Functionalized BODIPY Dye via Hydrogen Bonding
by Beatriz Matarranz, Angel Sampedro, Constantin G. Daniliuc and Gustavo Fernández
Crystals 2018, 8(11), 436; https://doi.org/10.3390/cryst8110436 - 20 Nov 2018
Cited by 11 | Viewed by 3726
Abstract
We report the synthesis, characterization, and self-assembly behavior of a 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) dye functionalized at the meso-position with a butyric acid group. Various spectroscopic investigations (UV-Vis, emission, and Fourier-transform infrared spectroscopy (FTIR) studies) supported by X-ray analysis revealed the formation [...] Read more.
We report the synthesis, characterization, and self-assembly behavior of a 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) dye functionalized at the meso-position with a butyric acid group. Various spectroscopic investigations (UV-Vis, emission, and Fourier-transform infrared spectroscopy (FTIR) studies) supported by X-ray analysis revealed the formation of self-assembled structures in the solid state with translationally stacked BODIPY units driven by hydrogen bonding between the carboxyl groups. Full article
(This article belongs to the Special Issue Self-Assembled Supramolecular Polymers via Strong H Bonding)
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7 pages, 1294 KiB  
Communication
A Crystallographic Study of a Novel Tetrazolyl-Substituted Nitronyl Nitroxide Radical
by Vasily E. Romanov, Irina Yu. Bagryanskaya, Dmitry E. Gorbunov, Nina P. Gritsan, Elena V. Zaytseva, Dominique Luneau and Evgeny V. Tretyakov
Crystals 2018, 8(9), 334; https://doi.org/10.3390/cryst8090334 - 21 Aug 2018
Cited by 6 | Viewed by 3167
Abstract
Spin-labelled compounds are widely used in chemistry, physics, biology, and material sciences, but the directed synthesis of some functionalized organic radicals is still a challenge. We succeeded in the preparation of a tetrazolyl-substituted nitronyl nitroxide radical in pure crystalline form. According to the [...] Read more.
Spin-labelled compounds are widely used in chemistry, physics, biology, and material sciences, but the directed synthesis of some functionalized organic radicals is still a challenge. We succeeded in the preparation of a tetrazolyl-substituted nitronyl nitroxide radical in pure crystalline form. According to the single-crystal X-ray data, intra- (NH…O, 2.43 Å) and inter-molecular hydrogen bonds (NH…O, 1.91 Å) are formed between NH groups of the tetrazole cycles and O atoms of the paramagnetic moieties. The intermolecular H-bonds connect the molecules forming chains along the a-axis. Moreover, there are short intermolecular contacts between the O atoms (3.096 Å) and between the O and C atoms (3.096 Å) of the nitronyl nitroxide moieties within the chain. The spin-unrestricted broken-symmetry calculations performed at the BS-UB3LYP/def2-TZVP level of theory predicted a sufficient ferromagnetic interaction (J ≈ 20 cm–1) between the adjacent radicals inside the chain, but a weak antiferromagnetic interaction (−J ≤0.2 cm−1) between the nearest radicals belonging to the different chains. Thus, a rare case when stable radicals, the tetrazolyl-substituted nitronyl nitroxides, are ordered into ferromagnetic chains was revealed; an investigation of the magneto-structural correlations inherent in the nitroxide radical will demand a special experiment in the sub-Kelvin regime. Full article
(This article belongs to the Special Issue Self-Assembled Supramolecular Polymers via Strong H Bonding)
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16 pages, 2585 KiB  
Article
Self-Assembled Structures of Diblock Copolymer/Homopolymer Blends through Multiple Complementary Hydrogen Bonds
by Wei-Chen Su, Yu-Shian Wu, Chih-Feng Wang and Shiao-Wei Kuo
Crystals 2018, 8(8), 330; https://doi.org/10.3390/cryst8080330 - 19 Aug 2018
Cited by 5 | Viewed by 3643
Abstract
A poly(styrene-b-vinylbenzyl triazolylmethyl methyladenine) (PS-b-PVBA) diblock copolymer and a poly(vinylbenzyl triazolylmethyl methylthymine) (PVBT) homopolymer were prepared through a combination of nitroxide-mediated radical polymerizations and click reactions. Strong multiple hydrogen bonding interactions of the A···T binary pairs occurred [...] Read more.
A poly(styrene-b-vinylbenzyl triazolylmethyl methyladenine) (PS-b-PVBA) diblock copolymer and a poly(vinylbenzyl triazolylmethyl methylthymine) (PVBT) homopolymer were prepared through a combination of nitroxide-mediated radical polymerizations and click reactions. Strong multiple hydrogen bonding interactions of the A···T binary pairs occurred in the PVBA/PVBT miscible domain of the PS-b-PVBA/PVPT diblock copolymer/homopolymer blend, as evidenced in Fourier transform infrared and 1H nuclear magnetic resonance spectra. The self-assembled lamellar structure of the pure PS-b-PVBA diblock copolymer after thermal annealing was transformed to a cylinder structure after blending with PVBT at lower concentrations and then to a disordered micelle or macrophase structure at higher PVBT concentrations, as revealed by small-angle X-ray scattering and transmission electron microscopy. Full article
(This article belongs to the Special Issue Self-Assembled Supramolecular Polymers via Strong H Bonding)
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