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Advances in Coordination Chemistry, 3rd Edition

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Inorganic Chemistry".

Deadline for manuscript submissions: 31 October 2025 | Viewed by 2784

Special Issue Editors


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Guest Editor
Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain
Interests: coordination chemistry; molecular recognition; metal complexes with purine nucleic bases or their synthetic nucleosides; crystal growth/structure; mixed ligand-metal complexes; interligand interactions; pi-stacking; C-H/pi interactions and other weak contributions to molecular and supramolecular crystal structures; DFT-calculations
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Guest Editor
Departament de Química, Universitat de les Illes Balears, Crta de Valldemossa km 7.7, 07122 Palma de Mallorca, Spain
Interests: coordination chemistry; nucleic acids; riboswitch; i-motifs; crystallography; isothermal titration calorimetry; bioinorganic chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The use of coordination compounds dates back to prehistoric times. The earliest documented use is probably that of alizarin (hydroxyanthraquinone), which is a textile dye that produces a bright red colour in combination with aluminium ions [Kaufmann, G.B. Coordination Chemistry: History. In Encyclopedia of Inorganic Chemistry; Scott, R.A., Ed.; Wiley: New York; USA, 2006]. A milestone in the evolution of coordination chemistry is the revolutionary theory proposed by Alfred Werner in 1893, which laid foundations for modern coordination chemistry. Today, IUPAC defines a coordination compound as any compound that is composed of a central atom, usually that of a metal, to which is attached a surrounding array of other atoms or groups of atoms, each of which is called a ligand [IUPAC Recommendations 2005]. Active sites in many enzymes that regulate biological processes are coordination compounds, as well as many catalysts used in the transformation of organic substances. Studies of interactions between metal ions and ligands may provide insights into catalysed reactions. The field of coordination chemistry is broad, with almost each metal ion or ligand making up its own subfield. The abundant reports in the recent literature show that interest in coordination chemistry remains unwaning and that focus has shifted from comprehensive theories of bonding towards the application and synthesis of compounds designed for specific use. We will dedicate this Special Issue to all aspects of coordination chemistry.

Any study related to original research or a review in relation to coordination chemistry has a place in this Special issue. Thus, the keywords are broad suggestions, so that any contribution that fully or partially matches one or more of these suggestions will be well received.

Prof. Dr. Juan Niclós-Gutiérrez
Dr. Miquel Barceló-Oliver
Guest Editors

Manuscript Submission Information

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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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • synthesis strategies for novel coordination compounds
  • coordination compounds with tailor-made ligands for specific applications
  • coordination compounds with multitopic ligands
  • single-crystal XRD structures and dimensionality of metal complexes
  • metal–organic frameworks and their applications
  • molecular recognition in mixed ligand–metal complexes at the molecular and/or supra-molecular levels
  • model metal complexes from the bioinorganic frontier of biological chemistry
  • DFT and other theoretical approaches for inter-ligand interactions in metal complexes

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Related Special Issue

Published Papers (3 papers)

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Review

35 pages, 5248 KiB  
Review
Effect of Remote Amine Groups on Ground- and Excited-State Properties of Terpyridyl d-Metal Complexes
by Anna Kryczka, Joanna Palion-Gazda, Katarzyna Choroba and Barbara Machura
Molecules 2025, 30(11), 2386; https://doi.org/10.3390/molecules30112386 - 29 May 2025
Viewed by 311
Abstract
Over the last nine decades, 2,2′:6′,2″-terpyridine (terpy) derivatives and their transition d-metal complexes have been extensively explored due to their unique and widely tuned optical, electrochemical, and biological properties. Terpyridyl transition metal complexes occupy a prominent position among functional molecular materials for applications [...] Read more.
Over the last nine decades, 2,2′:6′,2″-terpyridine (terpy) derivatives and their transition d-metal complexes have been extensively explored due to their unique and widely tuned optical, electrochemical, and biological properties. Terpyridyl transition metal complexes occupy a prominent position among functional molecular materials for applications in optoelectronics, life science, catalysis, and photocatalysis, as well as they have played a key role in determining structure–property relationships. This review summarizes the developments of amine-functionalized R-C6H4-terpy systems and their d-metal complexes, largely concentrating on their photophysical and electrochemical properties. Functionalization of the terpy core with the electron-rich group, attached to the central pyridine ring of the terpy backbone via the phenylene linker, gives rise to organic push–pull systems showing the photoinduced charge flow process from the peripheral donor substituent to the terpy acceptor. The introduction of amine-functionalized R-C6H4-terpy systems into the coordination sphere of a d-metal ion offers an additional way for controlling the photophysics of these systems, in agreement with the formation of the excited state of intraligand charge transfer (ILCT) nature. Within this review, a detailed discussion has been presented for R-C6H4-terpys modified with acyclic and cyclic amine groups and their Cr(III), Mn(I), Re(I), Fe(II), Ru(II), Os(II), Pt(II), and Zn(II) coordination compounds. Full article
(This article belongs to the Special Issue Advances in Coordination Chemistry, 3rd Edition)
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48 pages, 20206 KiB  
Review
Chemistry of 2-(2′-Aminophenyl)benzothiazole Derivatives: Syntheses, Photophysical Properties and Applications
by Ekaterina K. Pylova, Taisiya S. Sukhikh, Alexis Prieto, Florian Jaroschik and Sergey N. Konchenko
Molecules 2025, 30(8), 1659; https://doi.org/10.3390/molecules30081659 - 8 Apr 2025
Viewed by 1444
Abstract
2-(2′-aminophenyl)benzothiazole is a readily tunable fluorescent core with widespread applications in coordination chemistry, sensing, light-emitting processes, medicinal chemistry, and catalysis. This review provides an overview of the synthetic methodologies to access 2-(2′-aminophenyl)benzothiazole and its organic derivatives, including various phosphorous and silane pincer ligands. [...] Read more.
2-(2′-aminophenyl)benzothiazole is a readily tunable fluorescent core with widespread applications in coordination chemistry, sensing, light-emitting processes, medicinal chemistry, and catalysis. This review provides an overview of the synthetic methodologies to access 2-(2′-aminophenyl)benzothiazole and its organic derivatives, including various phosphorous and silane pincer ligands. The luminescent properties will be discussed, with a special focus on ESIPT and AIE processes. The coordination of transition metals and lanthanides is presented, as well as their influence on biological and light-emitting properties. 2-(2′-aminophenyl)benzothiazole derivatives have also been employed as sensors for a range of cations and anions due to their various binding modes, as well as for bioimaging purposes. Recently, the first application in photocatalysis has emerged, showing one of the many openings for these organic building blocks in the future. Full article
(This article belongs to the Special Issue Advances in Coordination Chemistry, 3rd Edition)
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44 pages, 13085 KiB  
Review
Beyond Spin Crossover: Optical and Electronic Horizons of 2,6-Bis(pyrazol-1-yl)pyridine Ligands and Complexes
by Yuliia Oleksii and Abdelkrim El-Ghayoury
Molecules 2025, 30(6), 1314; https://doi.org/10.3390/molecules30061314 - 14 Mar 2025
Viewed by 814
Abstract
The 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand family is widely recognized for its versatile coordination abilities and broad functionalization potential. This review examines bpp and its modifications at the pyridine ring’s 4-position, focusing on their influence on magnetic, optical, and electronic properties. Key applications [...] Read more.
The 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand family is widely recognized for its versatile coordination abilities and broad functionalization potential. This review examines bpp and its modifications at the pyridine ring’s 4-position, focusing on their influence on magnetic, optical, and electronic properties. Key applications discussed include spin crossover (SCO), single-ion and single-molecule magnetism (SIM and SMM), luminescence, redox flow batteries (RFBs), and photonic devices. We provide a comprehensive overview of ligand modifications involving carboxylates, extended aromatic systems, radicals, and redox-active units such as tetrathiafulvalene (TTF), alongside supramolecular architectures. The review highlights fundamental design principles, particularly the role of substituents in tuning the SCO behavior, photophysical properties, and self-assembly into functional nanostructures. Notable advancements include SCO-driven conductivity modulation, reversible luminescent switching, and amphiphilic bpp-based vesicles for multicolor emission. By analyzing the interplay between ligand structure and magnetic, optical, and electronic functions, we provide insights into the potential of bpp derivatives for advanced materials design. This review presents recent experimental and theoretical developments, offering a foundation for future exploration of bpp-based compounds in multifunctional devices. Full article
(This article belongs to the Special Issue Advances in Coordination Chemistry, 3rd Edition)
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