Topic Editors

Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
Dr. Ankur K. Guha
Advanced Computational Chemistry Centre, Cotton University, Guwahati 781001, Assam, India
Department of Chemistry and Biochemistry, San Diego State University, San Diego, CA 92182, USA

Aromatic Inorganic and Metallic Compounds II

Abstract submission deadline
30 June 2027
Manuscript submission deadline
30 September 2027
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Topic Information

Dear Colleagues,

Following the successful first edition of the Special Issue “Aromatic Inorganic and Metallic Compounds” (https://www.mdpi.com/journal/molecules/special_issues/86884P1B18) in the journal Molecules, we announce with great pleasure the second edition of “Aromatic Inorganic and Metallic Compounds II”, which is expected to be launched across five MDPI journals including Chemistry, Compounds, Inorganics, Molecules and Reactions.

As one of the most important concepts in chemistry, aromaticity was originally used to help understand the relationship between the structure and properties of cyclic π-conjugated molecules. In 1931, Hückel proposed a simple and effective 4n+2 electronic rule to judge the aromaticity of the ground states of ring-like π-conjugated molecules, in which n was the number of delocalized π electrons. Later, 4n electronic antiaromaticity was added to the Hückel rule by Breslow. The connotations and extensions of aromaticity have been evolving in recent years. Aromatic systems are no longer confined to organic hydrocarbons but extend to inorganic and metallic compounds. As supplements to π aromaticity, σ, δ, and φ aromaticity have been found. Aromaticity is responsible not only for the regular shape, extra stability, and low reactivity of compounds but also for their exotic dynamical properties. In addition, the concept of aromaticity extends from planar molecules to three-dimensional species, such as spherical aromaticity and cubic aromaticity.

There are many ways to evaluate the aromaticity of systems, including the molecular orbital (MO) method combined with Hückel's rule; adaptive natural density partitioning (AdNDP); nucleus-independent chemical shifts (NICSs); the anisotropy of the induced current density (AICD); aromatic ring chemical shieldings (ARCS); magnetic susceptibility exaltation; the harmonic oscillator measure of aromaticity (HOMA); bird aromaticity index; harmonic oscillator stabilization energy (HOSE); aromatic stabilization energy (ASE); magnetic resonance energies (MRE); and electron localization function (ELF).  

Aromaticity is very important for revealing the structures and properties of novel compounds. The aim of this Topic is to provide a platform to present the latest research results on aromatic inorganic and metallic species.

Prof. Dr. Jinchang Guo
Dr. Ankur K. Guha
Dr. Venkatesan S. Thimmakondu
Topic Editors

Keywords

  • aromaticity
  • inorganic compounds
  • metallic compounds
  • stability
  • dynamic properties
  • structure

Participating Journals

Journal Name Impact Factor CiteScore Launched Year First Decision (median) APC
Chemistry
chemistry
2.6 4.4 2019 13 Days CHF 1800 Submit
Compounds
compounds
3.6 4.8 2021 19.5 Days CHF 1200 Submit
Inorganics
inorganics
3.4 5.3 2013 12.6 Days CHF 2200 Submit
Molecules
molecules
5.1 10.3 1996 15.6 Days CHF 2700 Submit
Reactions
reactions
4.0 4.4 2020 19.2 Days CHF 1200 Submit

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Published Papers (1 paper)

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13 pages, 2440 KB  
Article
Ternary CBe4S32−/− Clusters: Fan-Shaped Global Minima with Planar Tetracoordinate Carbon
by Ting Zhang, Ya-Xuan Cheng, Mesías Orozco-Ic and Jin-Chang Guo
Chemistry 2026, 8(8), 113; https://doi.org/10.3390/chemistry8080113 - 20 Aug 2026
Abstract
“Altering the auxiliary atoms” is an effective approach for expanding the planar tetracoordinate carbon (ptC) family. The ternary CBe4S32− cluster has been designed by using the “isoelectronic replacement of auxiliary bridges” strategy, based on previously reported ptC CBe4 [...] Read more.
“Altering the auxiliary atoms” is an effective approach for expanding the planar tetracoordinate carbon (ptC) family. The ternary CBe4S32− cluster has been designed by using the “isoelectronic replacement of auxiliary bridges” strategy, based on previously reported ptC CBe4Cl3+. It possesses a fan-shaped structure, containing one ptC center, an arc-shaped Be4 ligand chain, and three auxiliary S bridges. The extensive search and high-level quantum chemistry calculations indicate that both ptC CBe4S32− and its derivative CBe4S3 are global minima structures on their potential energy surfaces. Born–Oppenheimer molecular dynamics simulations suggest that they also possess good dynamical stability. Chemical bonding analyses indicate that the ptC center in CBe4S32− is stabilized by one delocalized π bond and three delocalized σ bonds within the CBe4 core, while magnetically induced current density analysis reveals localized diatropic circulations without exhibiting a ring current. The current contribution introduces two new members to the ptC family, expanding the ptC bonding modes and design strategies. Full article
(This article belongs to the Topic Aromatic Inorganic and Metallic Compounds II)
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