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Crystals
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Synthesis and Characterization of Coordination Compounds
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Synthesis and Characterization of Coordination Compounds

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

Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 9234

Special Issue Editors

Dr. Ezzat Khan

E-Mail Website
Guest Editor
Department of Chemistry, College of Science, University of Bahrain, Sakhir 32038, Bahrain
Interests: coordination compounds; bioinorganic chemistry; spectroscopic structural characterization; coordination chemistry and the environment
Special Issues, Collections and Topics in MDPI journals
Dr. Awal Noor

E-Mail Website
Guest Editor
Department of Basic Science, Preparatory Year Deanship, King Faisal University, Al-Hassa 31982, Saudi Arabia
Interests: low-valent and low-coordinated metal complexes; metal–metal bonds; catalysis; polymer and medicinal chemistry

Special Issue Information

Dear Colleagues,

The role of coordination chemistry cannot be neglected, especially since the discovery of cisplatin as the pioneer anticancer metal-based drug. There has been a run and plethora of research in metal-based efficient reagents against a number of ailments. Moreover, biological applications and concepts of coordination chemistry have been widely applied in material science, catalysis, gas adsorption, and hydrometallurgical processes. The selection of ligands and suitable metal ions can lead to the formation of mononuclear, polynuclear, coordination polymers, homolyptic, and/or heterolyptic complexes. When designing coordination compounds, theses complexes take up a number of spectroscopic techniques and optimization conditions during their synthesis and characterization. Keeping the importance of coordination compounds in modern age in view, this Special Issue aims to collect articles pertaining to challenges in spectroscopic characterization, intriguing structural features, and applications of coordination compounds.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following:

  1. Synthesis and spectroscopic characterization of coordination compounds;
  2. Coordination polymers and their applications;
  3. Bioinorganic chemistry (anticancer, antimicrobial, antioxidant agents, and enzyme inhibitors);
  4. Coordination compounds in catalysis;
  5. Coordination compounds as gas storage materials;
  6. Environmental chemistry of coordination compounds;
  7. Coordination compounds in sensing applications;
  8. Coordination compounds in electroplating and surface protection;
  9. Coordination compounds and nanotechnology;
  10. Composite material of coordination compounds.

Manuscripts including single-crystal diffraction data are highly welcome.  

Dr. Ezzat Khan
Dr. Awal Noor
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. 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

  • coordination compounds
  • bioinorganic chemistry
  • MOFs
  • coordination polymers
  • synthesis and characterization
  • applications
  • composite material
  • sensing applications
  • catalysis
  • storage material
  • homo- and hetero-polymetallic complexes

Published Papers (7 papers)

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Research

14 pages, 17383 KiB  
Article
An Influence of Fluorinated Alkyl Substituents on Structure and Magnetic Properties of Mn(II) Complexes with Pyrazolyl-Substituted Nitronyl Nitroxides
by Ekaterina Kudryavtseva, Andrey Serykh, Bogdan Ugrak, Tatyana Dutova, Darina Nasyrova, Alexander Korlyukov, Mikhail Zykin, Nikolay Efimov, Artem Bogomyakov and Evgeny Tretyakov
Crystals 2023, 13(10), 1528; https://doi.org/10.3390/cryst13101528 - 23 Oct 2023
Cited by 1 | Viewed by 891
Abstract
New complexes of manganese(II) hexafluoroacetylacetonate [Mn(hfac)2] with 2-(1-R-3-pyrazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-3-oxide-1-oxyl (R = CHF2, CH2CH2F, CH2CHF2 or CH2CF3) were synthesised and characterised structurally and magnetically. All complexes were [...] Read more.
New complexes of manganese(II) hexafluoroacetylacetonate [Mn(hfac)2] with 2-(1-R-3-pyrazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-3-oxide-1-oxyl (R = CHF2, CH2CH2F, CH2CHF2 or CH2CF3) were synthesised and characterised structurally and magnetically. All complexes were prepared under similar conditions. Nonetheless, their crystal structures were considerably different. Depending on the structure of fluorinated alkyl substituent R, the complexation reaction led to complexes of three types: chain-polymeric complexes with the head-to-head or head-to-tail motif and complexes of molecular structure. All complexes show strong antiferromagnetic behaviour in a high-temperature region (150–300 K) and weak ferro- or antiferromagnetic exchange interactions at low temperatures. The stronger antiferromagnetic exchange, −101.7 ± 1.5 or −136 ± 10 cm−1, −82.3 ± 1.3 cm−1 and −87.4 ± 1.3 cm−1, was attributed to the magnetic interaction in three- or two-spin clusters: {>N∸O–Mn2+–O∸N<} or {>N∸O–Mn2+}, respectively. The weaker antiferromagnetic interaction, −0.005, between three-spin clusters or ferromagnetic interactions, 0.18–0.81 cm−1, between two-spin clusters are realised through the pyrazole ring or intermolecular contacts. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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18 pages, 4639 KiB  
Article
Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies
by Steven Knerr, Uwe Böhme and Marcus Herbig
Crystals 2023, 13(9), 1300; https://doi.org/10.3390/cryst13091300 - 24 Aug 2023
Viewed by 791
Abstract
In this work, the synthesis and structure of an antimony complex with an aromatic, asymmetric tridentate ligand without an Sb-C bond were studied. Ethoxy(2-salicylidenaminophenolato)antimony(III) was studied with NMR, UV-Vis, and IR spectroscopy and the molecular structure was determined by single crystal X-ray diffraction. [...] Read more.
In this work, the synthesis and structure of an antimony complex with an aromatic, asymmetric tridentate ligand without an Sb-C bond were studied. Ethoxy(2-salicylidenaminophenolato)antimony(III) was studied with NMR, UV-Vis, and IR spectroscopy and the molecular structure was determined by single crystal X-ray diffraction. The antimony atom is formally tetracoordinate in this molecule. Coordinative unsaturation becomes visible in the solid-state structure where intermolecular Sb…O interactions supplement the coordination sphere of the antimony atom to be hexacoordinated. Quantum chemical calculations were performed in order to obtain a better understanding of the bond properties in the antimony complex. These show a spherical distribution of the lone pair at antimony and polar shared bonds from antimony to the heteroatoms of the tridentate ligand. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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14 pages, 4091 KiB  
Article
A Novel Trinuclear Nickel(II) Salicylaldimine Complex: Synthesis, Structural Characterization, Bioactivity Profile against Bacterial, Fungal and Breast Cancer Cells and Effects on Wheat Germination Indices
by Ereny S. Williem, Ahmed Amro, Ahmed B. M. Ibrahim, S. Abd Elkhalik, Peter Mayer and S. M. Abbas
Crystals 2023, 13(7), 1084; https://doi.org/10.3390/cryst13071084 - 11 Jul 2023
Viewed by 910
Abstract
The complex [Ni3L6]•1.56CH2Cl2 (HL = (E)-2-(((3,4-dimethylphenyl)imino)methyl)phenol) was isolated in the monoclinic C 2/c space group. All nickel atoms are six-coordinate with a nickel atom bound to only O-phenol atoms, while the two terminal [...] Read more.
The complex [Ni3L6]•1.56CH2Cl2 (HL = (E)-2-(((3,4-dimethylphenyl)imino)methyl)phenol) was isolated in the monoclinic C 2/c space group. All nickel atoms are six-coordinate with a nickel atom bound to only O-phenol atoms, while the two terminal cations are surrounded by N3O3 atoms. This complex and its ligand (20 mg/mL in DMSO) were tested as antimicrobials. Against two fungi, the complex and amphotericin B caused 13 and 21 mm inhibition diameters, respectively, in Candida albicans plates. Against four bacteria, the ligand inhibited only Staphylococcus aureus with a 10 mm diameter, and the complex induced inhibitions with 10–13 mm (ampicillin afforded 21–26 mm inhibitions). Against cancer (MCF-7) and normal (BHK) cells, the ligand provided virtual inactivity, but great activities (IC50 = 5.44 and 11.61 μM, respectively) were shown by the complex. Doxorubicin afforded activities with IC50 = 9.66 and 36.42 μM in these cells, respectively. The ligand and its complex offered 100% germination of a drought-sensitive wheat cultivar (90% for control), but, under drought, the complex, ligand and control gave germination with 85, 75 and 95%, respectively. Under normal irrigation and drought, the control and complex afforded 100% germination, and the ligand afforded 95% germination for a drought-resistive wheat cultivar. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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26 pages, 12463 KiB  
Article
Structures, Characterization and DFT Studies of Four Novel Nickel Phenanthroline Complexes
by Safiah A. Alramadhan, Hassan H. Hammud, Basem F. Ali, Hazem A. Ghabbour, Sehrish Sarfaraz and Khurshid Ayub
Crystals 2023, 13(5), 738; https://doi.org/10.3390/cryst13050738 - 27 Apr 2023
Cited by 1 | Viewed by 1385
Abstract
Four Ni–phen complexes were prepared and characterized by FTIR and thermal analysis. The X-ray structure determination shows that the geometry around NiII ions in complexes 1, [Ni(phen)2(H2O)(ONO2)](NO3); 2, [Ni(phen)2(H2 [...] Read more.
Four Ni–phen complexes were prepared and characterized by FTIR and thermal analysis. The X-ray structure determination shows that the geometry around NiII ions in complexes 1, [Ni(phen)2(H2O)(ONO2)](NO3); 2, [Ni(phen)2(H2O)Cl]Cl; 3, [Ni(phen)(CH3CN)(ONO2)(O2NO)] and 4, [Ni(phen)3](NO3)2.H2O.C2H5OH is considerably distorted octahedral. The coordination core geometries in 1, 2, 3 and 4 are NiN4O2, NiN4OCl, NiN3O3 and NiN6, respectively. The crystal packing and crystal supramolecularity analysis of the complexes reveal the importance of aryl∙∙∙aryl interactions, and both offset face-to-face (OFF) and edge-to-face (EF) motifs are dominant. Hydrogen bonding interactions in these structures reinforce aryl∙∙∙aryl interactions. FTIR proved the coordination of M-N and M-Cl as well as the presence of nitro groups in the complexes, while thermal analysis revealed that the loss of water, chloro and nitro groups occurred before the degradation of phenanthroline ligand in the complexes. DFT study indicates that a strong correlation exists among theoretical and experimentally determined geometric parameters with distorted octahedral geometry. The charge density in HOMO is localized on the metal halogen bond and nitrate group (NO3−), whereas the LUMO cloud density is mainly distributed on the phen ring, which indicates the electroactive nature of the ring. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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13 pages, 4241 KiB  
Article
Crystalline Nanodomains at Multifunctional Two-Dimensional Liquid–Metal Hybrid Interfaces
by Mohammad Karbalaei Akbari, Nasrin Siraj Lopa and Serge Zhuiykov
Crystals 2023, 13(4), 604; https://doi.org/10.3390/cryst13040604 - 1 Apr 2023
Cited by 1 | Viewed by 1317
Abstract
Two-dimensional (2D) liquid–metal (LM) heterointerfaces with their tunable physicochemical characteristics are emerging platforms for the development of multifunctional hybrid nanostructures with numerous functional applications. From this perspective, the functionalization of LM galinstan nanoparticles (NPs) with crystalline nanodomains is a promising approach toward the [...] Read more.
Two-dimensional (2D) liquid–metal (LM) heterointerfaces with their tunable physicochemical characteristics are emerging platforms for the development of multifunctional hybrid nanostructures with numerous functional applications. From this perspective, the functionalization of LM galinstan nanoparticles (NPs) with crystalline nanodomains is a promising approach toward the synthesis of novel 2D hybrid LM heterointerfaces with unprecedented properties. However, the decoration of LM heterointerfaces with desired nanocrystalline structures is a challenging process due to simultaneous and intensive interactions between liquid–metal-based structures and metallic nanodomains. The present study discloses a facile and functional method for the growth of crystalline nanodomains at LM heterointerfaces. In this sonochemical-assisted synthesis method, acoustic waves provide the driving force for the growth of ultra-fine crystalline nanodomains on the surface of galinstan NPs. The galinstan NPs were initially engulfed within carbon nanotube (CNT) frameworks, to prevent intensive reactions with surrounding environment. These CNT frameworks furthermore separate galinstan NPs from the other products of sonochemistry reactions. The following material characterization studies demonstrated the nucleation and growth of various types of polycrystalline structures, including Ag, Se, and Nb nanodomains on 2D heterointerfaces of galinstan NPs. The functionalized galinstan NPs showed tunable electronic and photonic characteristics originated from their 2D hybrid interfaces. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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11 pages, 4274 KiB  
Article
Synthesis and Crystal Structure of Chlorido-Bridged Binuclear Copper(I) Complexes with Carbodithioate-Type Ligands
by Sher Ali Khan, Ezzat Khan, Sadaf Qayyum and Awal Noor
Crystals 2023, 13(2), 322; https://doi.org/10.3390/cryst13020322 - 15 Feb 2023
Viewed by 1707
Abstract
The CuCl binuclear complexes were synthesized with phenyl-1H-pyrazole-1-carbodithioate (L1) and phenyl-3-methyl-1H-pyrazole-1-carbodithioate (L2) ligands. The complexes were isolated as crystalline material in a reasonable quantity. The complexes were crystallized in acetonitrile (MeCN) and characterized [...] Read more.
The CuCl binuclear complexes were synthesized with phenyl-1H-pyrazole-1-carbodithioate (L1) and phenyl-3-methyl-1H-pyrazole-1-carbodithioate (L2) ligands. The complexes were isolated as crystalline material in a reasonable quantity. The complexes were crystallized in acetonitrile (MeCN) and characterized for their single crystal, using X-ray diffraction. The two units with the general formula LCuCl are bridged together via chlorido ligands, affording (LCuCl)2-type complexes. The complexes, [Cu2(μ-Cl)2(L1)2] 1 and [Cu2(μ-Cl)2(L2)2] 2 are monoclinic and triclinic with space group P21/n and Pi, respectively. The crystal packing is stabilized by C1(p)⋯C(p) and S⋯C(p) interactions extended in 2D fashion in complex 1, while complex 2 is stabilized by C(p)⋯S interactions extended in a 1D fashion. Structural features and secondary interactions present in both complexes discussed in this article. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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12 pages, 1980 KiB  
Article
Synthesis and Characterization of a Dysprosium(III)–Iron(III) Heterodinuclear Complex: Crystallographic, Hirshfeld Surface, Density-Functional Theory, and Luminescence Analyses
by Mohd. Muddassir, Abdullah Alarifi, Naaser A. Y. Abduh, Waseem Sharaf Saeed, Abdulnasser Mahmoud Karami and Mohd Afzal
Crystals 2022, 12(12), 1821; https://doi.org/10.3390/cryst12121821 - 14 Dec 2022
Viewed by 1169
Abstract
Here, a new cyano-bridged 3d–4f compound, a Dy(III)–Fe(III) molecular assembly ([Dy(DMF)4(H2O)3(μ-CN)Fe(CN)5.H2O] (1)), having a structure consisting of neutral one-dimensional (1D) chains, as well as an unbound aqua molecule, was synthesized and [...] Read more.
Here, a new cyano-bridged 3d–4f compound, a Dy(III)–Fe(III) molecular assembly ([Dy(DMF)4(H2O)3(μ-CN)Fe(CN)5.H2O] (1)), having a structure consisting of neutral one-dimensional (1D) chains, as well as an unbound aqua molecule, was synthesized and characterized using single crystal X-ray diffraction (XRD), infrared (IR), and elemental analyses. We then examined its structural topologies and studied its density functional theory (DFT), Hirshfeld surface analyses, and photophysical properties. The 1D chains were further linked by H-bond interactions, generating a three-dimensional (3D) motif which stabilizes the whole molecule. The weak interactions in 1 were assessed using Hirshfeld surface analyses, as well as fingerprint plots and DFT studies. Additionally, Hirshfeld surface analysis was performed to elucidate the roles of the weak interactions, such as the H⋯H, C⋯H, C–H⋯π, and van der Waals (vdW) interactions which are pivotal to stabilizing the crystal environment. Furthermore, the DFT studies were used to elucidate the bonding structure within the complex system. Complex 1 exhibits characteristic fluorescence as the Dy(III) complex is an excellent lime green luminescent material. Thus, it is considered to be a suitable material for preparing photoluminescent material. Full article
(This article belongs to the Special Issue Synthesis and Characterization of Coordination Compounds)
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