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Design of Functional Supramolecular Architectures Based on Coordination Compounds
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Design of Functional Supramolecular Architectures Based on Coordination Compounds

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (10 February 2024) | Viewed by 2962

Special Issue Editors

Dr. Sergey V. Baykov

E-Mail Website
Guest Editor
Institute of Chemistry, St. Petersburg State University, Universitetskaya nab. 7/9, St. Petersburg 199034, Russia
Interests: noncovalent interactions; platinum–metal complexes; solid-state luminescence; crystal engineering
Prof. Dr. Nadezhda A. Bokach

E-Mail Website
Guest Editor
Institute of Chemistry, St. Petersburg State University, Universitetskaya nab. 7/9, St. Petersburg 199034, Russia
Interests: noncovalent interactions; transition metal complexes; ligand reactivity; crystal engineering

Special Issue Information

Dear Colleagues,

This Special Issue is dedicated to revising the current state of research in the field of supramolecular systems formed by diverse metal complexes, with a focus on their design, structural features, and applications. Due to valuable properties, functional materials based on metal complexes are widely used in various fields, from optoelectronics and energy to healthcare and catalysis. At the same time, there is an unambiguous understanding of the relationship between the properties of such materials and their supramolecular architecture.

In this regard, studies aimed at a deeper understanding of the mechanisms and methods of organizing individual molecules into the solid state are of great importance for the rational design of new functional materials. Noncovalent interactions deserve special attention from this viewpoint, since they directly affect the way in which molecules package and interact in the solid phase; therefore, they directly determine the properties of supramolecular systems.

In this Special Issue, we welcome both experimental and theoretical high-quality research focused on establishing the supramolecular structure of coordination complexes, the identification and analysis of various intra- and intermolecular coordinations and noncovalent interactions, the determination of the structure–properties relationship, as well as the rational design of supramolecular functional materials, including, but not limited to, metal–organic frameworks, coordination polymers, and host–guest compounds.

This Special Issue is supervised by Dr. Sergey V. Baykov and assisted by our Topical Advisory Panel Member Lev E. Zelenkov（ITMO University).

Dr. Sergey V. Baykov
Prof. Dr. Nadezhda A. Bokach
Guest Editors

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • supramolecular architectures
  • noncovalent interactions
  • metal complexes
  • functional material
  • structure–properties relationship
  • DFT calculations
  • metal–organic framework
  • coordination polymer
  • semi-coordination
  • staking

Published Papers (3 papers)

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Research

18 pages, 8841 KiB  
Article
Conformation-Associated C···dz2-PtII Tetrel Bonding: The Case of Cyclometallated Platinum(II) Complex with 4-Cyanopyridyl Urea Ligand
by Sergey V. Baykov, Eugene A. Katlenok, Svetlana O. Baykova, Artem V. Semenov, Nadezhda A. Bokach and Vadim P. Boyarskiy
Int. J. Mol. Sci. 2024, 25(7), 4052; https://doi.org/10.3390/ijms25074052 - 5 Apr 2024
Viewed by 618
Abstract
The nucleophilic addition of 3-(4-cyanopyridin-2-yl)-1,1-dimethylurea (1) to cis-[Pt(CNXyl)2Cl2] (2) gave a new cyclometallated compound 3. It was characterized by NMR spectroscopy (1H, 13C, 195Pt) and high-resolution mass spectrometry, as [...] Read more.
The nucleophilic addition of 3-(4-cyanopyridin-2-yl)-1,1-dimethylurea (1) to cis-[Pt(CNXyl)2Cl2] (2) gave a new cyclometallated compound 3. It was characterized by NMR spectroscopy (1H, 13C, 195Pt) and high-resolution mass spectrometry, as well as crystallized to obtain two crystalline forms (3 and 3·2MeCN), whose structures were determined by X-ray diffraction. In the crystalline structure of 3, two conformers (3A and 3B) were identified, while the structure 3·2MeCN had only one conformer 3A. The conformers differed by orientation of the N,N-dimethylcarbamoyl moiety relative to the metallacycle plane. In both crystals 3 and 3·2MeCN, the molecules of the Pt(II) complex are associated into supramolecular dimers, either {3A}2 or {3B}2, via stacking interactions between the planes of two metal centers, which are additionally supported by hydrogen bonding. The theoretical consideration, utilizing a number of computational approaches, demonstrates that the C···dz2(Pt) interaction makes a significant contribution in the total stacking forces in the geometrically optimized dimer [3A]2 and reveals the dz2(Pt)→π*(PyCN) charge transfer (CT). The presence of such CT process allowed for marking the C···Pt contact as a new example of a rare studied phenomenon, namely, tetrel bonding, in which the metal site acts as a Lewis base (an acceptor of noncovalent interaction). Full article
(This article belongs to the Special Issue Design of Functional Supramolecular Architectures Based on Coordination Compounds)
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14 pages, 3501 KiB  
Article
Halogen Bond-Involving Self-Assembly of Iodonium Carboxylates: Adding a Dimension to Supramolecular Architecture
by Amirbek D. Radzhabov, Alyona I. Ledneva, Natalia S. Soldatova, Irina I. Fedorova, Daniil M. Ivanov, Alexey A. Ivanov, Mekhman S. Yusubov, Vadim Yu. Kukushkin and Pavel S. Postnikov
Int. J. Mol. Sci. 2023, 24(19), 14642; https://doi.org/10.3390/ijms241914642 - 27 Sep 2023
Cited by 1 | Viewed by 981
Abstract
We designed 0D, 1D, and 2D supramolecular assemblies made of diaryliodonium salts (functioning as double σ-hole donors) and carboxylates (as σ-hole acceptors). The association was based on two charge-supported halogen bonds (XB), which occurred between IIII sites of the iodonium cations and [...] Read more.
We designed 0D, 1D, and 2D supramolecular assemblies made of diaryliodonium salts (functioning as double σ-hole donors) and carboxylates (as σ-hole acceptors). The association was based on two charge-supported halogen bonds (XB), which occurred between IIII sites of the iodonium cations and the carboxylate anions. The sequential introduction of the carboxylic groups in the aryl ring of the benzoic acid added a dimension to the 0D supramolecular organization of the benzoate, which furnished 1D-chained and 2D-layered structures when terephthalate and trimesate anions, correspondingly, were applied as XB acceptors. The structure-directing XB were studied using DFT calculations under periodic boundary conditions and were followed by the one-electron-potential analysis and the Bader atoms-in-molecules topological analysis of electron density. These theoretical methods confirmed the existence of the XB and verified the philicities of the interaction partners in the designed solid-state structures. Full article
(This article belongs to the Special Issue Design of Functional Supramolecular Architectures Based on Coordination Compounds)
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15 pages, 4095 KiB  
Article
Multifunctional Oxidized Dextran as a Matrix for Stabilization of Octahedral Molybdenum and Tungsten Iodide Clusters in Aqueous Media
by Ekaterina V. Pronina, Yuri A. Vorotnikov, Tatiana N. Pozmogova, Alphiya R. Tsygankova, Kaplan Kirakci, Kamil Lang and Michael A. Shestopalov
Int. J. Mol. Sci. 2023, 24(12), 10010; https://doi.org/10.3390/ijms241210010 - 11 Jun 2023
Cited by 1 | Viewed by 1006
Abstract
Due to their high abundance, polymeric character, and chemical tunability, polysaccharides are perfect candidates for the stabilization of photoactive nanoscale objects, which are of great interest in modern science but can be unstable in aqueous media. In this work, we have demonstrated the [...] Read more.
Due to their high abundance, polymeric character, and chemical tunability, polysaccharides are perfect candidates for the stabilization of photoactive nanoscale objects, which are of great interest in modern science but can be unstable in aqueous media. In this work, we have demonstrated the relevance of oxidized dextran polysaccharide, obtained via a simple reaction with H2O2, towards the stabilization of photoactive octahedral molybdenum and tungsten iodide cluster complexes [M6I8}(DMSO)6](NO3)4 in aqueous and culture media. The cluster-containing materials were obtained by co-precipitation of the starting reagents in DMSO solution. According to the data obtained, the amount and ratio of functional carbonyl and carboxylic groups as well as the molecular weight of oxidized dextran strongly affect the extent of stabilization, i.e., high loading of aldehyde groups and high molecular weight increase the stability, while acidic groups have some negative impact on the stability. The most stable material based on the tungsten cluster complex exhibited low dark and moderate photoinduced cytotoxicity, which together with high cellular uptake makes these polymers promising for the fields of bioimaging and PDT. Full article
(This article belongs to the Special Issue Design of Functional Supramolecular Architectures Based on Coordination Compounds)
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