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Featured Papers in Organometallic Chemistry—2nd Edition
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Featured Papers in Organometallic Chemistry—2nd Edition

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

Deadline for manuscript submissions: 31 December 2025 | Viewed by 7296

Special Issue Editor

Dr. Michal Szostak

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Guest Editor
Department of Chemistry, Rutgers University, 73 Warren St, Newark, NJ 07102, USA
Interests: amide bonds; N-heterocyclic carbenes; Pd-NHCs; C–N activation; C–H activation; C–O activation; amide bond activation; ester activation; cross-coupling; catalysis; decarbonylative couplings; Suzuki–Miyaura; reductions; lanthanides; reductive couplings; radical chemistry; synthetic methodology; natural products
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Organometallic chemistry plays a central role in various fields of science at the interface of organic and inorganic materials and is the main group of metal chemistry. The bonding between metal and carbon atoms continues to serve as an inspiration to discover, characterize, and apply new organometallic complexes and processes of significant importance to general research.

Manuscript formats adopted by Molecules may additionally include the following types of papers: articles, reviews, communications, brief reports, etc. In this Special Issue, we invite featured papers that provide recent advances in the field. Our focus is on the most recent developments in the broadly defined area of organometallic chemistry, encompassing organometallic complexes, catalysis, bioorganometallic chemistry, the structure and reactivity of main group metals, transition metals, and lanthanides, among other subfields of organometallic chemistry. Submissions of full research papers and short communications are welcome.

Dr. Michal Szostak
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. 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

  • organometallic chemistry
  • complexes
  • metals
  • metal–carbon bonding
  • main group metals
  • transition metals
  • lanthanides
  • catalysis
  • ligands
  • metal chemistry
  • phosphines
  • N-heterocyclic carbenes
  • bipyridines
  • homogeneous catalysis
  • cross-coupling
  • bond activation
  • ancillary ligands
  • photoredox catalysis
  • asymmetric catalysis
  • crystallography
  • spectroscopy

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Related Special Issue

Published Papers (9 papers)

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Research

Jump to: Review

19 pages, 3964 KiB  
Article
Tuning 2,3-Bis(arylimino)butane-nickel Precatalysts for High-Molecular-Weight Polyethylene Elastomers
by Dongzhi Zhu, Dedong Jia, Qiuyue Zhang, Yanping Ma, Qaiser Mahmood and Wen-Hua Sun
Molecules 2025, 30(8), 1847; https://doi.org/10.3390/molecules30081847 - 20 Apr 2025
Viewed by 159
Abstract
The catalytic performance of α-diiminonickel complexes is highly sensitive to structural modifications in their ligand frameworks. In this study, a series of unsymmetrical 2,3-bis(arylimino)butane-nickel complexes featuring ortho-2,6-dibenzhydryl groups as sterically demanding motifs and para-methyl groups as electron-donating enhancers were proposed and [...] Read more.
The catalytic performance of α-diiminonickel complexes is highly sensitive to structural modifications in their ligand frameworks. In this study, a series of unsymmetrical 2,3-bis(arylimino)butane-nickel complexes featuring ortho-2,6-dibenzhydryl groups as sterically demanding motifs and para-methyl groups as electron-donating enhancers were proposed and synthesized. These nickel complexes were thoroughly characterized using FTIR, elemental analysis, and single-crystal X-ray diffraction (for Ni4 and Ni5), revealing deviations from ideal tetrahedral geometry. Upon activation with Et2AlCl, these complexes demonstrated exceptional ethylene polymerization activity, achieving a remarkable value of 13.67 × 106 g PE mol−1 (Ni) h−1 at 20 °C. Notably, even at 80 °C, the nickel complexes maintained a high activity of 1.97 × 106 g PE mol−1 (Ni) h−1, showcasing superiority compared to previously reported unsymmetrical 2,3-bis(arylimino)butane-nickel complexes. The resulting polyethylenes exhibited ultra-high molecular weights (Mw: 3.33–19.47 × 105 g mol−1) and tunable branching densities (84–217/1000C), which were effectively controlled by polymerization temperature. Moreover, the mechanical properties of the polyethylenes, including tensile strength (σb = 0.74–16.83 MPa), elongation at break (εb = 271–475%), and elastic recovery (SR = 42–74%), were finely tailored by optimizing molecular weight, crystallinity, and branching degree. The prepared polyethylenes displayed outstanding elastic recovery, a hallmark of high-performance thermoplastic elastomers, making them promising candidates for advanced material applications. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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17 pages, 3268 KiB  
Article
Gold(III) Complexes with 2-(1-Ethylbenzyl)pyridine as Promising Antimicrobial and Antitumor Agents
by Antonio Zucca, Bruna Canu, Maria I. Pilo, Sergio Stoccoro, Giacomo Senzacqua, Sara Fais, Giuseppina Pichiri and Alessandra Scano
Molecules 2025, 30(7), 1611; https://doi.org/10.3390/molecules30071611 - 4 Apr 2025
Viewed by 299
Abstract
Antimicrobial resistance (AMR) is one of the most urgent public health problems worldwide; multidrug resistance (MDR) is also of concern. In an effort to find new classes of antibiotics, recent studies have found that coordination compounds of noble metals show promising biological effects [...] Read more.
Antimicrobial resistance (AMR) is one of the most urgent public health problems worldwide; multidrug resistance (MDR) is also of concern. In an effort to find new classes of antibiotics, recent studies have found that coordination compounds of noble metals show promising biological effects both in vitro and in vivo, deserving attention as a new class of possible antimicrobial agents. Metal ions in biological systems can essentially have two roles: structural or functional. In the former, the metal ion serves to stabilize structures, especially proteins, while in the latter, the metal is involved in bio-site reactivity (essentially in metallo-enzymes). Two new complexes with 2-(1-ethyl-benzyl)pyridine (pyeb), one monodentate adduct and one cyclometalated ([Au(pyeb)Cl3] and [Au(pyeb-H)Cl2], respectively), have been synthesized, characterized, and tested against Gram-positive and Gram-negative bacteria, as well as yeasts, revealing promising antibacterial and antibiofilm properties. The two complexes have been thoroughly characterized by means of 1D and 2D NMR spectroscopy, as well as by cyclic voltammetry, conductivity measurements, FT-IR, and elemental analysis. The study showed that the two derivatives are structurally and chemically different, with the cyclometalated complex being chemically and electrochemically more stable. Antimicrobial assays demonstrated that solutions of the monodentate adduct and of the cyclometalated complex have inhibitory and antibiofilm effects against the pathogenic bacteria E. coli, K. pneumoniae, S. aureus, and S. pyogenes but were unable to reveal a fungicidal effect on C. albicans. A preliminary study was conducted to assess the anti-cancer activity of the compounds, and treatments with the gold compounds also resulted in a significant reduction in the metabolic activity of HT29 colon cancer cells. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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13 pages, 3650 KiB  
Article
Continuous In-Situ Polymerization of Complex-Based Films for High-Performance Electrochromic Devices
by Yang-Bo Liu, Hao-Tian Deng, Li-Yi Zhang, Jing-Hao Wei, Feng-Rong Dai and Zhong-Ning Chen
Molecules 2025, 30(5), 1099; https://doi.org/10.3390/molecules30051099 - 27 Feb 2025
Viewed by 458
Abstract
Synthesis of uniform and stable electrochromic films on a conductive layer is one of the effective ways to construct high-performance electrochromic devices. The development of more convenient and feasible polymer film preparation technology is important and necessary. Herein, we demonstrated the development of [...] Read more.
Synthesis of uniform and stable electrochromic films on a conductive layer is one of the effective ways to construct high-performance electrochromic devices. The development of more convenient and feasible polymer film preparation technology is important and necessary. Herein, we demonstrated the development of a continuous in situ polymerization method to prepare electrochromic film on ITO glass through Schiff base condensation of a tetraamine Fe-based complex and organic di-/tri-aldehyde precursors. The electrochromic film was successfully coated on the surface of the ITO conductive layer and exhibited uniform morphology and excellent stability. Film P1 exhibited two reversible redox processes allowing two steps of electrochromic processes, including the oxidation of Fe(II) to Fe(III) at 1.05 V and oxidation of triphenylamine moieties to cation radicals at 1.4 V, which induced three stable color states from initial yellow to orange red and blue. The utilization of the so-formed polymer film for the fabrication of electrochromic devices gave rise to excellent electrochromic performance of fast response time of 0.4−1.2 s and high coloration efficiencies of 241.5−352.9 cm2/C at 1.9 V (at 535 nm) and 2.5 V (at 755 nm). The present work provides a new feasible strategy for constructing polymer films for high-performance electrochromic devices. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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21 pages, 4691 KiB  
Article
Chiroptical Spectroscopy, Theoretical Calculations, and Symmetry of a Chiral Transition Metal Complex with Low-Lying Electronic States
by Mutasem Alshalalfeh and Yunjie Xu
Molecules 2025, 30(4), 804; https://doi.org/10.3390/molecules30040804 - 10 Feb 2025
Viewed by 710
Abstract
Vibrational circular dichroism (VCD) enhancement by low-lying electronic states (LLESs) is a fascinating phenomenon, but accounting for it theoretically remains a challenge despite significant research efforts over the past 20 years. In this article, we synthesized two transition metal complexes using the tetradentate [...] Read more.
Vibrational circular dichroism (VCD) enhancement by low-lying electronic states (LLESs) is a fascinating phenomenon, but accounting for it theoretically remains a challenge despite significant research efforts over the past 20 years. In this article, we synthesized two transition metal complexes using the tetradentate Schiff base ligands (R,R)- and (S,S)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine with Co(II) and Mn(III), referred to as Co(II)-salen-chxn and Mn(III)-Cl-salen-chxn, respectively. Their stereochemical properties were explored through a combined experimental chiroptical spectroscopic and theoretical approach, with a focus on Co(II)-salen-chxn. Extensive conformational searches in CDCl3 for both high- and low-spin states were carried out and the associated infrared (IR), VCD, ultraviolet-visible (UV-Vis) absorption, and electronic circular dichroism (ECD) spectra were simulated. A good agreement between experimental and simulated data was achieved for IR, VCD, UV-Vis, and ECD, except in the case of VCD of Co(II)-salen-chxn which exhibits significant intensity enhancement and monosignate VCD bands, attributed to the LLESs. Interestingly, detailed comparisons with Mn(III)-Cl-salen-chxn and previously reported Ni(II)-salen-chxn and Cu(II)-salen-chxn complexes suggest that the enhancement factor is predicted by the current density functional theory simulations. However, the monosignate signatures observed in the experimental Co(II) VCD spectrum were not captured theoretically. Based on the experiment and theoretical VCD and ECD comparison, it is tentatively suggested that Co(II)-salen-chxn exists in both low- and high-spin states, with the former being dominant, while Mn(III)-Cl-salen-chxn in the high-spin state. The study indicates that VCD enhancement by LLESs is at least partially captured by the existing theoretical simulation, while the symmetry consideration in vibronic coupling provides further insight into the mechanisms behind the VCD sign-flip. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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24 pages, 2864 KiB  
Article
o-Halogenation and -Alkoxylation of Phenylglycine Derivatives by Pd-Mediated C-H Functionalization: Scope and Limitations
by Eduardo Laga, Sonia Nieto, Carlos Cativiela and Esteban P. Urriolabeitia
Molecules 2025, 30(2), 236; https://doi.org/10.3390/molecules30020236 - 9 Jan 2025
Viewed by 640
Abstract
Orthopalladated derivatives from substituted phenylglycines [Pd(μ-Cl)(C6H3R1C(R2)(R3)N(R4)2]2 (1) react with halogenating reagents (PhICl2, Br2, I2) (2) to give the [...] Read more.
Orthopalladated derivatives from substituted phenylglycines [Pd(μ-Cl)(C6H3R1C(R2)(R3)N(R4)2]2 (1) react with halogenating reagents (PhICl2, Br2, I2) (2) to give the corresponding o-halogenated amino acids C6H3(X)R1C(R2)(R3)N(R4)2 (3). The reaction is general and tolerates a variety of functional groups (R1 to R4) at the aryl ring, the Cα, and the N atom. On the other hand, the reaction of [Pd(μ-Cl)(C6H3R1C(R2)(R3)N(R4)2]2 (1) with PhI(OAc)2 in the presence of a variety of alcohols R5OH (4) gives the o-alkoxylated phenylglycines C6H3(OR5)R1C(R2)(R3)N(R4)2 (5), also as a general process. A partial loss of the enantiomeric excess is observed when the starting phenylglycine is enantiomerically pure, this arising from the formation of bridging azavinylidene (6) and imine intermediate species (7), which were characterized by X-ray diffraction methods. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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15 pages, 2355 KiB  
Article
Doubly Metathetic NiCl2-Catalyzed Coupling Between Bis(2-oxazolines) and Aldehydes: A Novel Access to Bis(ester-imine) Derivatives
by Sara Colombo, Julie Oble, Giovanni Poli, Leonardo Lo Presti, Giovanni Macetti, Alessandro Contini, Gianluigi Broggini, Marta Papis and Camilla Loro
Molecules 2024, 29(23), 5756; https://doi.org/10.3390/molecules29235756 - 5 Dec 2024
Cited by 1 | Viewed by 841
Abstract
The coupling between bis(2-oxazolines) and two equivalents of aromatic aldehydes in the presence of catalytic amounts of NiCl2 affords an ester-imine product in synthetically useful yields. This virtually unknown, 100% atom-economic transformation involves the formal metathesis between the C=N double bond of [...] Read more.
The coupling between bis(2-oxazolines) and two equivalents of aromatic aldehydes in the presence of catalytic amounts of NiCl2 affords an ester-imine product in synthetically useful yields. This virtually unknown, 100% atom-economic transformation involves the formal metathesis between the C=N double bond of the bis(2-oxazoline) moiety, which undergoes ring-opening, and the C=O double bond of the aldehyde. The scope of this transformation is studied, and a mechanism is proposed based on DFT calculations. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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11 pages, 5038 KiB  
Article
An Efficient Method for the Selective Syntheses of Sodium Telluride and Symmetrical Diorganyl Tellurides and the Investigation of Reaction Pathways
by Chorong Kim, Yoo Jin Lim, Ye Eun Kim, Akula S. N. Murthy, Hyunsung Cho, Hyejeong Lee, Myung-Sook Park and Sang Hyup Lee
Molecules 2024, 29(22), 5398; https://doi.org/10.3390/molecules29225398 - 15 Nov 2024
Viewed by 788
Abstract
Studies on organotellurium compounds have not been extensively conducted due to a lack of tolerable synthetic methods, difficult isolation processes, and their chemical instabilities. Overcoming these hurdles, we developed an efficient and mild method for the selective synthesis of symmetrical diorganyl tellurides 1 [...] Read more.
Studies on organotellurium compounds have not been extensively conducted due to a lack of tolerable synthetic methods, difficult isolation processes, and their chemical instabilities. Overcoming these hurdles, we developed an efficient and mild method for the selective synthesis of symmetrical diorganyl tellurides 1, a representative class of organotellurium compounds, using a proper reducing reagent. The reaction condition was optimized for the selective formation of 1 by forming the telluride dianion (Te2−) using a reducing reagent, sodium borohydride (NaBH4), and then followed by the addition of organyl halides. The optimized reaction condition was as follows: (1) Te (1.0 eq), NaBH4 (2.5 eq) in DMF for 1 h at 80 °C; (2) organyl halides (2.0 eq) for 3–5 h at 25–153 °C. Using this condition, 18 various diorganyl tellurides 1 were selectively and efficiently synthesized in reasonable yields (37–93%). The reaction pathways for the formation of diorganyl tellurides 1 were also investigated. Consequently, we established a practical and efficient method for the selective synthesis of diorganyl tellurides 1 as a representative class of organotellurium compounds. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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16 pages, 3972 KiB  
Article
Theoretical Investigation of Interconversion Pathways and Intermediates in Hydride/Silyl Exchange of Niobocene Hydride–Silyl Complexes: A DFT Study Incorporating Conformational Search and Interaction Region Indicator (IRI) Analysis
by Dapeng Zhang and Naoki Kishimoto
Molecules 2024, 29(21), 5075; https://doi.org/10.3390/molecules29215075 - 26 Oct 2024
Viewed by 1114
Abstract
Niobocene hydride–silyl complexes exhibit intriguing structural characteristics with the potential for direct hydride/silyl exchange, where hydride migration plays a crucial role during conformational interconversion. In this study, quantum chemical calculations were utilized to investigate the transformation pathways involved in hydride/silyl exchange in niobocene [...] Read more.
Niobocene hydride–silyl complexes exhibit intriguing structural characteristics with the potential for direct hydride/silyl exchange, where hydride migration plays a crucial role during conformational interconversion. In this study, quantum chemical calculations were utilized to investigate the transformation pathways involved in hydride/silyl exchange in niobocene trihydride complexes with various dichlorosilanes, including SiCl2Me2, SiCl2iPr2, and SiCl2MePh ligands. The conformational changes and hydride shifts within these niobocene hydride–silyl complexes were examined, and key intermediates were identified. Electronic wavefunction analysis provided insights into the coordination configurations and the nature of inter-ligand interactions. Interaction region indicator (IRI) analysis revealed Van der Waals interactions between chloride atoms and cyclopentadienyl rings, as well as between chloride atoms and Me, iPr, and Ph groups. Notably, distinct interactions between hydride ligands, including those from Si-H moieties and coordinated hydrogen atoms, were observed. Both lateral and central conformations, with respect to silicon coordination to the niobium center, were considered. This study enhances the understanding of intermediate conformations in the hydride/silyl exchange process and provides a detailed characterization of inter-ligand interactions, offering valuable insights for analyzing metallocene complexes with organic ligand coordination. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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Review

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27 pages, 5811 KiB  
Review
Hybrid Metal Catalysts as Valuable Tools in Organic Synthesis: An Overview of the Recent Advances in Asymmetric C─C Bond Formation Reactions
by Isabella Rimoldi, Giulia Coffetti, Raffaella Gandolfi and Giorgio Facchetti
Molecules 2024, 29(21), 5090; https://doi.org/10.3390/molecules29215090 - 28 Oct 2024
Viewed by 1714
Abstract
Carbon–carbon bond formation represents a key reaction in organic synthesis, resulting in paramount importance for constructing the carbon backbone of organic molecules. However, traditional metal-based catalysis, despite its advantages, often struggles with issues related to efficiency, selectivity, and sustainability. On the other hand, [...] Read more.
Carbon–carbon bond formation represents a key reaction in organic synthesis, resulting in paramount importance for constructing the carbon backbone of organic molecules. However, traditional metal-based catalysis, despite its advantages, often struggles with issues related to efficiency, selectivity, and sustainability. On the other hand, while biocatalysis offers superior selectivity due to an extraordinary recognition process of the substrate, the scope of its applicable reactions remains somewhat limited. In this context, Artificial Metalloenzymes (ArMs) and Metallo Peptides (MPs) offer a promising and not fully explored solution, merging the two fields of transition metal catalysis and biotransformations, by inserting a catalytically active metal cofactor into a customizable protein scaffold or coordinating the metal ion directly to a short and tunable amino acid (Aa) sequence, respectively. As a result, these hybrid catalysts have gained attention as valuable tools for challenging catalytic transformations, providing systems with new-to-nature properties in organic synthesis. This review offers an overview of recent advances in the development of ArMs and MPs, focusing on their application in the asymmetric carbon–carbon bond-forming reactions, such as carbene insertion, Michael additions, Friedel–Crafts and cross-coupling reactions, and cyclopropanation, underscoring the versatility of these systems in synthesizing biologically relevant compounds. Full article
(This article belongs to the Special Issue Featured Papers in Organometallic Chemistry—2nd Edition)
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