Special Issue "Multi-Metallic Systems: From Strong Cooperative Bonds to Weak M-M Interactions"
Deadline for manuscript submissions: closed (15 March 2023) | Viewed by 6439
Interests: inorganic chemistry; organometallic catalysis; computational organometallic catalysis; computational organocatalysis; computational solid state chemistry and magnetism; computational host-guest chemistry; reaction mechanisms; computational methodologies for synthesis-theory synergy; bonding analysis
Special Issues, Collections and Topics in MDPI journals
Interests: coordination chemistry; quantum chemistry; chemistry of macrocyclic compounds; nanosciences; scientometrics
Special Issues, Collections and Topics in MDPI journals
Special Issue in Materials: Advanced Metal Chelate Complexes: Quantum-Chemical Consideration
Special Issue in Molecules: DFT Quantum Chemical Calculation of Metal Clusters
Special Issue in International Journal of Molecular Sciences: Simple Substances of Non-metals: Molecular Structures Modeling with Using DFT and More Advanced Methods of Quantum Chemistry
Special Issue in Publications: Modern Problems of Scientometric Assessment of Publication Activity
Special Issue in Molecules: Template Synthesis (Self-Assembly) of Macrocycles: Theory and Practice
Special Issue in Inorganics: Periodic Law and Systems of Chemical Elements: Yesterday, Today, Tomorrow
Special Issue in Journal of Functional Biomaterials: Green Biosynthesis of Nanomaterials for Biomedical Applications
Special Issue in Materials: Study on Synthesis and Properties of Metal-Containing Matrix Polymer Composites
Special Issue in International Journal of Molecular Sciences: Magnetism in Chemistry
Special Issue in International Journal of Molecular Sciences: The Role of Interactions in Complexes, Clusters and Crystal Structures—Theoretical Analyses and Experimental Evidences
Special Issue in International Journal of Molecular Sciences: Quantum-Chemical Modeling and Design of Chelate and Macrocyclic Metal Complexes 2.0
Special Issue in Inorganics: Nanoparticles of Metal-Containing Compounds: Fundamental Studies and Applications
This Special Issue is entirely dedicated to metal–metal interactions (whether homo- or heterometallic); they are undeniably affecting three major areas of chemistry nowadays: solid state chemistry, organometallic chemistry and supramolecular chemistry. Multi-site morphologies enable cooperative behaviour in catalytic, spectroscopic and magnetic events.
The challenges of synthesizing and characterizing novel structures with optimal designs and properties to satisfy the postulated goals need to be addressed. Likewise, the choice of computational methods able to correctly describe and reproduce such metal–metal interactions and their physico-chemical properties is far from trivial. DFT is currently the most applied computational method, though multiconfigurational methods, such as CASSCF and CASPT2, should be more conceptually appropriate. Highly correlated post-HF methods (e.g., CCSD(T)) are recommended to reproduce “metallophilic” interactions, though DFT, complemented by long-range and empirical dispersion corrections, leads to favorable accuracy/cost ratios for large systems. The description of open-shell solids typically relies on spin-polarized DFT+U approaches. Post-wavefunction NBO, QTAIM and ELF analyses (among others) are typically employed to characterize the strength and the nature of m–m interactions.
The present Special Issue welcomes submissions of original research papers (and reviews) that demonstrate significant advances in the chemistry of multi-metallic species (whether with solid state, organometallic or supramolecular chemistry), such as structural and catalytic novelties, proofs of cooperative behaviours, innovative theoretical treatments and/or state-of-the-art computational analyses and simulations (particular attention will be given to papers showing synergistic approaches between theory and experiment).
Dr. Mauro Fianchini
Prof. Dr. Oleg V. Mikhailov
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.
- solid state chemistry
- organometallic chemistry
- supramolecular chemistry
- cooperative behavior
- metal-metal interaction
- metal-metal bond