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Inorganic Young Investigators' Contributions Collection
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Inorganic Young Investigators' Contributions Collection

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

Deadline for manuscript submissions: closed (30 June 2023) | Viewed by 11417

Special Issue Editor

Dr. Vassilis Tangoulis

E-Mail Website
Guest Editor
Department of Chemistry, University of Patras, Patra, Greece
Interests: hybrid carbon based nano-materials; encapsulation/decoration of functionalized multi-wall nanotubes with Single Molecule Magnets (SMMs) and the study of their magnetic behaviour; application of hybrid materials in the area of spintronics or medicine (MRI agents)
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue welcomes the submission of research papers of the next-generation of inorganic chemists whose scientific work covers all areas of inorganic chemistry. Young graduate students, industrial chemists, postdoctoral scholars, as well as academics who have started an independent academic position in the last few years are invited to contribute high quality papers (original research articles or comprehensive review papers) in Inorganic Chemistry research fields such as:

a) synthesis and characterization of inorganic compounds, complexes, and materials;

b) spectroscopic and magnetic properties of inorganic compounds;

c) mechanisms of inorganic reactions organometallic compounds;

d) inorganic cluster chemistry;

e) heterogeneous and homogeneous catalytic reactions promoted by inorganic compounds;

f) supramolecular systems and coordination polymers;

g) bio-inorganic chemistry and applications of inorganic compounds in biological systems;

h) medicine environmental and sustainable energy applications of inorganic compounds and materials;

i) nano-chemistry and inorganic nanoparticles;

j) spectroscopic and magnetic properties of inorganic nanoparticles;

k) hybrid carbon based nano-materials incorporating inorganic molecules or nanoparticles.

Prof. Dr. Vassilis Tangoulis
Guest Editor

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Published Papers (6 papers)

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Research

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11 pages, 2621 KiB  
Communication
Insights into ThB40: Stability, Electronic Structure, and Interaction
by Yutian Li, Yingying Wang, Zhanrong Zhou, Yang Gao, Yiming Chen, Guoqing Zhang and Chao Ma
Molecules 2024, 29(6), 1222; https://doi.org/10.3390/molecules29061222 - 8 Mar 2024
Viewed by 972
Abstract
The interaction between nonmetal and metal atoms has attracted great interest in the development of organometallic compounds and their promising applications. In this study, we explored the interaction between boron and thorium atoms, based on the stable B40Th coordination compound, by [...] Read more.
The interaction between nonmetal and metal atoms has attracted great interest in the development of organometallic compounds and their promising applications. In this study, we explored the interaction between boron and thorium atoms, based on the stable B40Th coordination compound, by employing density functional theory calculations. We elucidated the stability and geometries of the B40Th coordination compound and revealed the electron transfer from the metal atom Th to B40, which is evidenced by the natural bond orbital calculations. This electron transfer is attributed to the electron-withdrawing character of the boron atom and results in clear electrostatic interaction. Additionally, bond critical analysis and bond order calculations show obvious covalent characters between the metal and nonmetal atoms. The IR spectrum was simulated to give detailed information to identify this targeted compound in future experiments. This study is expected to enhance the understanding of metal–nonmetal interactions and provides useful information for constructing new organometallic compounds based on actinium metal atoms. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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13 pages, 7926 KiB  
Article
Nanocomposites Based on Spin-Crossover Nanoparticles and Silica-Coated Gold Nanorods: A Nonlinear Optical Study
by Eleni Zygouri, Aristeidis Stathis, Stelios Couris and Vassilis Tangoulis
Molecules 2023, 28(10), 4200; https://doi.org/10.3390/molecules28104200 - 19 May 2023
Cited by 1 | Viewed by 1515
Abstract
A nanocomposite based on silica-coated AuNRs with the aminated silica-covered spin-crossover nanoparticles (SCO NPs) of the 1D iron(II) coordination polymer with the formula [Fe(Htrz)2(trz)](BF4) is presented. For the synthesis of the SCO NPs, the reverse micelle method was used, [...] Read more.
A nanocomposite based on silica-coated AuNRs with the aminated silica-covered spin-crossover nanoparticles (SCO NPs) of the 1D iron(II) coordination polymer with the formula [Fe(Htrz)2(trz)](BF4) is presented. For the synthesis of the SCO NPs, the reverse micelle method was used, while the gold nanorods (AuNRs) were prepared with the aspect ratio AR = 6.0 using the seeded-growth method and a binary surfactant mixture composed of cetyltrimethylammonium bromide (CTAB) and sodium oleate (NaOL). The final nanocomposite was prepared using the heteroaggregation method of combining different amounts of SCO NPs with the AuNRs. The nonlinear optical (NLO) properties of the hybrid AuNRs coated with different amounts of SCO NPs were studied in detail by means of the Z-scan technique, revealing that the third-order NLO properties of the AuNRs@SCO are dependent on the amount of SCO NPs grafted onto them. However, due to the resonant nature of the excitation, SCO-induced NLO switching was not observed. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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11 pages, 2278 KiB  
Article
Insights into the Fluxional Processes of Monomethylcyclohexenyl Manganese Tricarbonyl
by Guangchao Liang and Min Zhang
Molecules 2023, 28(7), 3232; https://doi.org/10.3390/molecules28073232 - 4 Apr 2023
Cited by 2 | Viewed by 1399
Abstract
Multiple fluxional processes of 6-monomethylcyclohexenylmanganese tricarbonyl [(6-MeC6H8)Mn(CO)3, complex 1] and 5-monomethylcyclohexenylmanganese tricarbonyl [(5-MeC6H8)Mn(CO)3, complex 2] have been explored using density functional theory (DFT) computations. The contributions of four agostomers— [...] Read more.
Multiple fluxional processes of 6-monomethylcyclohexenylmanganese tricarbonyl [(6-MeC6H8)Mn(CO)3, complex 1] and 5-monomethylcyclohexenylmanganese tricarbonyl [(5-MeC6H8)Mn(CO)3, complex 2] have been explored using density functional theory (DFT) computations. The contributions of four agostomers—1, 2, 3, and 4—to the (MeC6H8)Mn(CO)3 exchange processes were revealed. The computational results demonstrated that the 1, 2-agostic isomerization only occurred via the η4-diene hydride transition state (TS-1-2, 14.0 kcal/mol), which is consistent with the experimentally proposed high-energy exchange process (16.0 kcal/mol). Excellent agreement is observed (R2 = 0.9862) when comparing the computed and experimentally observed variable temperature 1H NMR chemical shifts. With these results, important insights into the role of agostic interaction in the homogeneous catalysis process could be made, especially with regard to transition metal catalyzed C-H activation. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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17 pages, 5967 KiB  
Article
Magnetic Nanocomposites of Coated Ferrites/MOF as Pesticide Adsorbents
by Savvina Lazarou, Orestis Antonoglou, Stefanos Mourdikoudis, Marco Serra, Zdeněk Sofer and Catherine Dendrinou-Samara
Molecules 2023, 28(1), 39; https://doi.org/10.3390/molecules28010039 - 21 Dec 2022
Cited by 7 | Viewed by 1838
Abstract
Magnetic metal–organic frameworks (MMOFs) are gaining increased attention as emerging adsorbents/water remediation agents. Herein, a facile development of novel MMOFs comprised of coated ferrite nanoparticles (MNPs) and UiO-66 metal–organic framework is reported. In specific, coated Co- and Zn-doped ferrite magnetic nanoparticles were synthesized [...] Read more.
Magnetic metal–organic frameworks (MMOFs) are gaining increased attention as emerging adsorbents/water remediation agents. Herein, a facile development of novel MMOFs comprised of coated ferrite nanoparticles (MNPs) and UiO-66 metal–organic framework is reported. In specific, coated Co- and Zn-doped ferrite magnetic nanoparticles were synthesized as building block while the metal–organic framework was grown in the presence of MNPs via a semi-self-assembly approach. The utilization of coated MNPs facilitated the conjugation and stands as a novel strategy for fabricating MMOFs with increased stability and an explicit structure. MMOFs were isolated with 13–25 nm crystallites sizes, 244–332 m2/g specific surface area (SSA) and 22–42 emu/g saturation magnetization values. Establishing the UiO-66 framework via the reported semi-self-assembly resulted in roughly 70% reduction in both magnetic properties and SSA, compared with the initial MNPs building blocks and UiO-66 framework, respectively. Nonetheless, the remaining 30% of the magnetization and SSA was adequate for successful and sufficient adsorption of two different pesticides, 2,4-Dichlorophenoxyacetic acid (2,4-D) and 2,4,5-Trichlorophenoxyacetic acid (2,4,5-T), while the recovery with a commercial magnet and reuse were also found to be effective. Adsorption and kinetic studies for all three MMOFs and both pesticides were performed, and data were fitted to Langmuir–Freundlich isotherm models. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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19 pages, 5074 KiB  
Article
Bio-Derived Fluorescent Carbon Dots: Synthesis, Properties and Applications
by Manisha Kumari, Ganga Ram Chaudhary, Savita Chaudhary, Ahmad Umar, Sheikh Akbar and Sotirios Baskoutas
Molecules 2022, 27(16), 5329; https://doi.org/10.3390/molecules27165329 - 21 Aug 2022
Cited by 12 | Viewed by 2833
Abstract
The transformation of biowaste into products with added value offers a lucrative role in nation-building. The current work describes the synthesis of highly water-soluble, luminous carbon quantum dots (CQDs) in the size range of 5–10 nm from discarded rice straw. The small spherical [...] Read more.
The transformation of biowaste into products with added value offers a lucrative role in nation-building. The current work describes the synthesis of highly water-soluble, luminous carbon quantum dots (CQDs) in the size range of 5–10 nm from discarded rice straw. The small spherical CQDs that were formed had outstanding optical and luminescent qualities as well as good photostabilities. By performing quantitative multi-assay tests that included antioxidant activities, in vitro stability and colloidal assay investigations as a function of different CQD concentrations, the biocompatibility of CQDs was evaluated. To clearly visualize the type of surface defects and emissive states in produced CQDs, excitation-dependent fluorescence emission experiments have also been carried out. The “waste-to-wealth” strategy that has been devised is a successful step toward the quick and accurate detection of Cu2+ ion in aqueous conditions. The fluorescence-quenching behavior has specified the concentration dependency of the developed sensor in the range of 50 μM to 10 nM, with detection limit value of 0.31 nM. The main advantage of the current research is that it offers a more environmentally friendly, economically viable and scaled-up synthesis of toxicologically screened CQDs for the quick fluorescence detection of Cu2+ ions and opens up new possibilities in wastewater management. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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46 pages, 7299 KiB  
Review
Metal Complexes with Naphthalene-Based Acetic Acids as Ligands: Structure and Biological Activity
by Marialena Lazou, Spyros Perontsis and George Psomas
Molecules 2023, 28(5), 2171; https://doi.org/10.3390/molecules28052171 - 26 Feb 2023
Cited by 2 | Viewed by 1920
Abstract
Naproxen (6–methoxy–α–methyl–2–naphthaleneacetic acid), 1–naphthylacetic acid, 2–naphthylacetic acid and 1–pyreneacetic acid are derivatives of acetic acid bearing a naphthalene-based ring. In the present review, the coordination compounds of naproxen, 1– or 2–naphthylacetato and 1–pyreneacetato ligands are discussed in regard to their structural features (nature [...] Read more.
Naproxen (6–methoxy–α–methyl–2–naphthaleneacetic acid), 1–naphthylacetic acid, 2–naphthylacetic acid and 1–pyreneacetic acid are derivatives of acetic acid bearing a naphthalene-based ring. In the present review, the coordination compounds of naproxen, 1– or 2–naphthylacetato and 1–pyreneacetato ligands are discussed in regard to their structural features (nature and nuclearity of metal ions and coordination mode of ligands), their spectroscopic and physicochemical properties and their biological activities. Full article
(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)
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