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Special Issue "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: 25 October 2022 | Viewed by 688

Special Issue Editors

Dr. Mauro Fianchini
E-Mail Website1 Website2
Guest Editor
MagnetoCat SL, Alicante, Spain
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 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

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
  • catalysis
  • luminescence
  • magnetism
  • metal-metal interaction
  • metal-metal bond

Published Papers (1 paper)

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Introduction from Guest Editors to Special Issue “Multi-Metallic Systems: From Strong Cooperative Bonds to Weak M-M Interactions”
Int. J. Mol. Sci. 2022, 23(19), 10998; https://doi.org/10.3390/ijms231910998 - 20 Sep 2022
Viewed by 154
As is known, the chemical elements called metals make up the majority of all the chemical elements included in the periodic table of D [...] Full article
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