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Crystals
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Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds...
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Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (3rd Edition)

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Hybrid and Composite Crystalline Materials".

Deadline for manuscript submissions: 20 March 2025 | Viewed by 2601

Special Issue Editor

Dr. Waldemar Maniukiewicz

E-Mail Website
Guest Editor
Institute of General and Ecological Chemistry, Lodz University of Technology, Żeromskiego 116, 90-924 Lodz, Poland
Interests: coordination chemistry; solid-state chemistry; medicinal chemistry; X-ray crystallography; solid-state synthesis; crystal engineering; molecular structure; polymorphism
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

It is worth recalling that 125 years have passed since the pioneering work of Alfred Werner on the stereochemistry of coordination compounds, which emphasized the number and nature of the groups attached to the metal ion. These compounds are still compelling and experimentally demanding frontiers in modern inorganic chemistry. Every year, we observe the emergence of scientific reports on the synthesis of new complexes with unexpected bonding modes, structures, and properties.

This Special Issue of Crystals is expected to provide an excellent platform to report results that highlight the synthesis and crystal structures of coordination compounds. Furthermore, Hirshfeld surface analysis has become a widely used method for exploring intermolecular interactions within a crystal structure in a remarkable way.

As Guest Editor, I invite scientists from various fields to submit articles that discuss the crystal chemistry of coordination chemistry. This includes examples of synthesis and experimentally determined crystal structures. New approaches to the synthesis of coordination complexes are particularly encouraged.

Dr. Waldemar Maniukiewicz
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

  • coordination complexes 
  • synthesis 
  • crystal and molecular structure 
  • hirschfeld surface analysis
  • non-covalent interactions

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Published Papers (2 papers)

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Research

30 pages, 7196 KiB  
Article
The Counterion (SO42− and NO3−) Effect on Crystallographic, Quantum-Chemical, Protein-, and DNA-Binding Properties of Two Novel Copper(II)–Pyridoxal-Aminoguanidine Complexes
by Violeta Jevtovic, Luka Golubović, Odeh A. O. Alshammari, Munirah Sulaiman Alhar, Tahani Y. A. Alanazi, Violeta Rakic, Rakesh Ganguly, Jasmina Dimitrić Marković, Aleksandra Rakić and Dušan Dimić
Crystals 2024, 14(9), 814; https://doi.org/10.3390/cryst14090814 - 14 Sep 2024
Viewed by 484
Abstract
New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO42− and NO3−) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to [...] Read more.
New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO42− and NO3−) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to the square-pyramidal structure of [Cu(PLAG)NO3H2O]NO3 (complex 1) and square-planar structure of [Cu(PLAG)H2O]SO4 (complex 2). The intermolecular interactions were examined using the Hirshfeld surface analysis. The theoretical structures of these complexes were obtained by optimization at the B3LYP/6-311++G(d,p)(H,C,N,O,S)/LanL2DZ(Cu) level of theory. The Quantum Theory of Atoms in Molecules (QTAIM) was applied to assess the strength and type of the intramolecular interactions and the overall stability of the structures. The interactions between the complexes and transport proteins (human serum albumin (HSA)) and calf thymus DNA (CT-DNA) were examined by spectrofluorometric/spectrophotometric titration and molecular docking. The binding mechanism to DNA was assessed by potassium iodide quenching experiments. The importance of counterions for binding was shown by comparing the experimental and theoretical results and the examination of binding at the molecular level. Full article
(This article belongs to the Special Issue Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (3rd Edition))
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14 pages, 3644 KiB  
Article
Preparation and Structural Variety of Neutral Heptaphospha-Nortricyclane Derivatives of Zinc and the Coinage Metals
by Clara A. Roller, Berenike Doler and Roland C. Fischer
Crystals 2024, 14(7), 586; https://doi.org/10.3390/cryst14070586 - 26 Jun 2024
Viewed by 1830
Abstract
In this study, we report the preparation of neutral Au(I), Ag(I), and Cu(I) derivatives [(hyp)2P7M]n (M = Au, n = 2; M = Ag, Cu, n = 4) of a heptaphospha-nortricyclane cage. Synthesis was conducted via a halodesilylation [...] Read more.
In this study, we report the preparation of neutral Au(I), Ag(I), and Cu(I) derivatives [(hyp)2P7M]n (M = Au, n = 2; M = Ag, Cu, n = 4) of a heptaphospha-nortricyclane cage. Synthesis was conducted via a halodesilylation route under the cleavage of the sterically less shielded trimethyl silyl group, starting from the heteroleptic cage (hyp)2(tms)P7. All coinage metal derivatives exhibit short metal–metal distances of 2.9542(2) Å (Au), 2.8833(6) Å (Ag), and 2.654(1) Å (Cu), respectively. The same synthetic methodology was also applied for the preparation of a zinc derivative, [{(hyp)2P7}2Zn]*Et2O, for which full multinuclear NMR characterization could be conducted. Full article
(This article belongs to the Special Issue Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (3rd Edition))
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