Multi-Metallic Systems: From Strong Cooperative Bonds to Weak M-M Interactions
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".
Deadline for manuscript submissions: closed (15 March 2023) | Viewed by 10490
Special Issue Editors
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 Information
Dear Colleagues,
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
Guest Editors
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Keywords
- solid state chemistry
- organometallic chemistry
- supramolecular chemistry
- cooperative behavior
- catalysis
- luminescence
- magnetism
- metal-metal interaction
- metal-metal bond
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